(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C20H18N4O3 — CID 135902757

IUPAC(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1
InChIInChI=1S/C20H18N4O3/c1-27-15-9-7-13(8-10-15)16-11-18-22-19(25)12-17(24(18)23-16)20(26)21-14-5-3-2-4-6-14/h2-11,17H,12H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyKFVOPRSVQXWGRM-KRWDZBQOSA-N
MW362.39 g/mol
LogP3.08
Rot. Bonds4

About (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135902757) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135902757
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1
InChIInChI=1S/C20H18N4O3/c1-27-15-9-7-13(8-10-15)16-11-18-22-19(25)12-17(24(18)23-16)20(26)21-14-5-3-2-4-6-14/h2-11,17H,12H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1
InChIKeyKFVOPRSVQXWGRM-KRWDZBQOSA-N
XLogP3.08
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-[4-(2-Methoxyethoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928128
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983721
2-[4-(Cyclopropylmethoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983732
2-(4-Cyclopentyloxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983746
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983748
7-(Acrylamidomethyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983767
N-[5-(4-Methoxy-phenyl)-2H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 25029711
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 57523356
(5S)-5-amino-7-hydroxy-3-[(3-methoxyphenyl)methyl]-1-methyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one
CID 67962969
7-(2-(Methylamino)phenyl)-2-(4-phenoxy phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928070
7-(3-Acrylamidophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928142

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135902757) is (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1.
What is the InChIKey of (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is KFVOPRSVQXWGRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-15-9-7-13(8-10-15)16-11-18-22-19(25)12-17(24(18)23-16)20(26)21-14-5-3-2-4-6-14/h2-11,17H,12H2,1H3,(H,21,26)(H,22,25)/t17-/m0/s1.
What are the key properties of (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135902757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).