2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16ClN5O2 — CID 70925623

IUPAC2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1c(N)[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H16ClN5O2/c1-2-7-19-16(24)13-14(18)21-22-12(23)8-11(20-15(13)22)9-3-5-10(17)6-4-9/h3-6,8,21H,2,7,18H2,1H3,(H,19,24)
InChIKeyKYDHYOWYMPJTMA-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70925623) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70925623
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCNC(=O)c1c(N)[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H16ClN5O2/c1-2-7-19-16(24)13-14(18)21-22-12(23)8-11(20-15(13)22)9-3-5-10(17)6-4-9/h3-6,8,21H,2,7,18H2,1H3,(H,19,24)
InChIKeyKYDHYOWYMPJTMA-UHFFFAOYSA-N
XLogP2.07
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Bcat-IN-2
CID 78319104
3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753151
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
5-Butyl-2-[(4-Chloro-2-Fluorobenzyl)amino]-7-Oxo-4,7-Dihydropyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 122190020
2-[(4-Chlorobenzyl)amino]-7-Oxo-5-Propyl-4,7-Dihydropyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 122190028
2-(4-Chloro-phenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793394
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1079880
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753150
2-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
CID 819028
3-(4-chlorophenyl)-2,5-dimethyl-6-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1863824
N-benzyl-6-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4526204
N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15988878

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70925623) is 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCNC(=O)c1c(N)[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYDHYOWYMPJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-2-7-19-16(24)13-14(18)21-22-12(23)8-11(20-15(13)22)9-3-5-10(17)6-4-9/h3-6,8,21H,2,7,18H2,1H3,(H,19,24).
What are the key properties of 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70925623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).