(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C18H24N4O2 — CID 124809749

IUPAC(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1ccccc1CN1Cc2ccnn2[C@H](C(=O)NC(C)C)C1
InChIInChI=1S/C18H24N4O2/c1-13(2)20-18(23)16-12-21(11-15-8-9-19-22(15)16)10-14-6-4-5-7-17(14)24-3/h4-9,13,16H,10-12H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyXRKNYQPUGOIBGQ-INIZCTEOSA-N
MW328.42 g/mol
LogP1.97
Rot. Bonds5

About (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 124809749) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID124809749
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1ccccc1CN1Cc2ccnn2[C@H](C(=O)NC(C)C)C1
InChIInChI=1S/C18H24N4O2/c1-13(2)20-18(23)16-12-21(11-15-8-9-19-22(15)16)10-14-6-4-5-7-17(14)24-3/h4-9,13,16H,10-12H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyXRKNYQPUGOIBGQ-INIZCTEOSA-N
XLogP1.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluorocyclobutyl)-5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133136590
(7S)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124805081
(7R)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124807924
N-cyclobutyl-5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131655766
2-[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155860751
7-[(2-methoxy-3-pyridinyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131638794
5-(1H-indol-4-ylmethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141807
2-[[5-[(2-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843594
(3,3-difluoroazetidin-1-yl)-[5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methanone
CID 133140973
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
(7R)-N-cyclopropyl-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124786935
(3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 131663485

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 124809749) is (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is COc1ccccc1CN1Cc2ccnn2[C@H](C(=O)NC(C)C)C1.
What is the InChIKey of (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is XRKNYQPUGOIBGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(2)20-18(23)16-12-21(11-15-8-9-19-22(15)16)10-14-6-4-5-7-17(14)24-3/h4-9,13,16H,10-12H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
(7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-[(2-methoxyphenyl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 124809749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).