N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17ClN4O — CID 24716766

IUPACN-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnn2c(-c3ccccc3Cl)ccnc12
InChIInChI=1S/C17H17ClN4O/c1-2-3-9-20-17(23)13-11-21-22-15(8-10-19-16(13)22)12-6-4-5-7-14(12)18/h4-8,10-11H,2-3,9H2,1H3,(H,20,23)
InChIKeyMTCMULQUMAMJBG-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.58
Rot. Bonds5

About N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24716766) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24716766
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnn2c(-c3ccccc3Cl)ccnc12
InChIInChI=1S/C17H17ClN4O/c1-2-3-9-20-17(23)13-11-21-22-15(8-10-19-16(13)22)12-6-4-5-7-14(12)18/h4-8,10-11H,2-3,9H2,1H3,(H,20,23)
InChIKeyMTCMULQUMAMJBG-UHFFFAOYSA-N
XLogP3.58
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-chlorophenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855250
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
N-(1-benzylpiperidin-4-yl)-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074569
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55828845
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46488049
7-[2-[(3,4-dichlorobenzoyl)amino]phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171358868

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24716766) is N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1cnn2c(-c3ccccc3Cl)ccnc12.
What is the InChIKey of N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MTCMULQUMAMJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-3-9-20-17(23)13-11-21-22-15(8-10-19-16(13)22)12-6-4-5-7-14(12)18/h4-8,10-11H,2-3,9H2,1H3,(H,20,23).
What are the key properties of N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24716766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).