N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H11ClN6O — CID 66851197

IUPACN-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C16H11ClN6O/c17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h1-9H,(H,19,22)(H,21,24)
InChIKeyWUGATYAZBCNSNU-UHFFFAOYSA-N
MW338.76 g/mol
LogP3.03
Rot. Bonds3

About N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66851197) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66851197
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC NameN-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cccc(Cl)c1)c1cnn2cccnc12
InChIInChI=1S/C16H11ClN6O/c17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h1-9H,(H,19,22)(H,21,24)
InChIKeyWUGATYAZBCNSNU-UHFFFAOYSA-N
XLogP3.03
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 70496411
CID 70496411
CID 71279939
CID 71279939
CID 118879529
CID 118879529
CID 156027236
CID 156027236
CID 46899752
CID 46899752
CID 46899938
CID 46899938
CID 51003514
CID 51003514
CID 53319647
CID 53319647
CID 58063084
CID 58063084
CID 58063100
CID 58063100
CID 58063117
CID 58063117
CID 58063121
CID 58063121

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66851197) is N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cccc(Cl)c1)c1cnn2cccnc12.
What is the InChIKey of N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WUGATYAZBCNSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O/c17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h1-9H,(H,19,22)(H,21,24).
What are the key properties of N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 338.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66851197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).