(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H23N7O — CID 164695047

IUPAC(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1[nH]nc(N)c1-c1ccccc1)C2
InChIInChI=1S/C19H23N7O/c1-11(2)18-24-21-14-10-25(9-12(3)26(14)18)19(27)16-15(17(20)23-22-16)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H3,20,22,23)/t12-/m0/s1
InChIKeyMIFUQVHHEMPUAK-LBPRGKRZSA-N
MW365.44 g/mol
LogP2.59
Rot. Bonds3

About (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164695047) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID164695047
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1[nH]nc(N)c1-c1ccccc1)C2
InChIInChI=1S/C19H23N7O/c1-11(2)18-24-21-14-10-25(9-12(3)26(14)18)19(27)16-15(17(20)23-22-16)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H3,20,22,23)/t12-/m0/s1
InChIKeyMIFUQVHHEMPUAK-LBPRGKRZSA-N
XLogP2.59
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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3-methyl-6-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
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3-{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carbonyl}-1H-indazole
CID 91920151
US11597728, Example 70
CID 168058521
1H-indazol-3-yl-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 47026037
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[3-(2-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 53572112
N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53582704
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 53598311
N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 53607625
[3-(2-methylimidazol-1-yl)piperidin-1-yl]-[3-(2-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 53615103
7-methyl-4-(3-methylphenyl)-6-[(3-methyl-1H-pyrazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 56706026
3-amino-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenyl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164695047) is (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC(C)c1nnc2n1[C@@H](C)CN(C(=O)c1[nH]nc(N)c1-c1ccccc1)C2.
What is the InChIKey of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is MIFUQVHHEMPUAK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N7O/c1-11(2)18-24-21-14-10-25(9-12(3)26(14)18)19(27)16-15(17(20)23-22-16)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H3,20,22,23)/t12-/m0/s1.
What are the key properties of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164695047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).