N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H15ClN6O2 — CID 162650315

IUPACN-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C18H15ClN6O2/c1-24-9-15(16(23-24)13-7-12(19)4-3-11(13)10-26)22-18(27)14-8-21-25-6-2-5-20-17(14)25/h2-9,26H,10H2,1H3,(H,22,27)
InChIKeyWOKXSCIJOSJVAH-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.53
Rot. Bonds4

About N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 162650315) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID162650315
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC NameN-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C18H15ClN6O2/c1-24-9-15(16(23-24)13-7-12(19)4-3-11(13)10-26)22-18(27)14-8-21-25-6-2-5-20-17(14)25/h2-9,26H,10H2,1H3,(H,22,27)
InChIKeyWOKXSCIJOSJVAH-UHFFFAOYSA-N
XLogP2.53
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 162650315) is N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(Cl)ccc2CO)n1.
What is the InChIKey of N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WOKXSCIJOSJVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-24-9-15(16(23-24)13-7-12(19)4-3-11(13)10-26)22-18(27)14-8-21-25-6-2-5-20-17(14)25/h2-9,26H,10H2,1H3,(H,22,27).
What are the key properties of N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-chloro-2-(hydroxymethyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 162650315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).