(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C18H27N7O — CID 97145912

IUPAC(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2)n1cncn1
InChIInChI=1S/C18H27N7O/c1-14(25-13-19-12-21-25)18(26)20-10-15-9-17-11-23(7-8-24(17)22-15)16-5-3-2-4-6-16/h9,12-14,16H,2-8,10-11H2,1H3,(H,20,26)/t14-/m0/s1
InChIKeyGGXZQQVNCULOLV-AWEZNQCLSA-N
MW357.46 g/mol
LogP1.50
Rot. Bonds5

About (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 97145912) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID97145912
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2)n1cncn1
InChIInChI=1S/C18H27N7O/c1-14(25-13-19-12-21-25)18(26)20-10-15-9-17-11-23(7-8-24(17)22-15)16-5-3-2-4-6-16/h9,12-14,16H,2-8,10-11H2,1H3,(H,20,26)/t14-/m0/s1
InChIKeyGGXZQQVNCULOLV-AWEZNQCLSA-N
XLogP1.50
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 97145912) is (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)NCc1cc2n(n1)CCN(C1CCCCC1)C2)n1cncn1.
What is the InChIKey of (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is GGXZQQVNCULOLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N7O/c1-14(25-13-19-12-21-25)18(26)20-10-15-9-17-11-23(7-8-24(17)22-15)16-5-3-2-4-6-16/h9,12-14,16H,2-8,10-11H2,1H3,(H,20,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 357.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 97145912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).