N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H11ClN4O — CID 2235561

IUPACN-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnn2cccnc12
InChIInChI=1S/C14H11ClN4O/c15-12-5-2-1-4-10(12)8-17-14(20)11-9-18-19-7-3-6-16-13(11)19/h1-7,9H,8H2,(H,17,20)
InChIKeyPZXPPALXARGMQF-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.31
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2235561) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2235561
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnn2cccnc12
InChIInChI=1S/C14H11ClN4O/c15-12-5-2-1-4-10(12)8-17-14(20)11-9-18-19-7-3-6-16-13(11)19/h1-7,9H,8H2,(H,17,20)
InChIKeyPZXPPALXARGMQF-UHFFFAOYSA-N
XLogP2.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2235561) is N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccccc1Cl)c1cnn2cccnc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PZXPPALXARGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-5-2-1-4-10(12)8-17-14(20)11-9-18-19-7-3-6-16-13(11)19/h1-7,9H,8H2,(H,17,20).
What are the key properties of N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2235561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).