N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H17N5O2 — CID 60506856

IUPACN-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIInChI=1S/C21H17N5O2/c22-19(27)16-8-4-5-14(11-16)12-24-21(28)17-13-25-26-18(9-10-23-20(17)26)15-6-2-1-3-7-15/h1-11,13H,12H2,(H2,22,27)(H,24,28)
InChIKeyBUUAPCRDNFMMOX-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.43
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 60506856) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID60506856
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIInChI=1S/C21H17N5O2/c22-19(27)16-8-4-5-14(11-16)12-24-21(28)17-13-25-26-18(9-10-23-20(17)26)15-6-2-1-3-7-15/h1-11,13H,12H2,(H2,22,27)(H,24,28)
InChIKeyBUUAPCRDNFMMOX-UHFFFAOYSA-N
XLogP2.43
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521
N-benzyl-7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24970079
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55972126
N-[2-(furan-2-yl)-2-hydroxyethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110899085
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873313
N-[3-(2-methoxyethoxy)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55959199
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
N'-(4-bromobenzoyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 78886697

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 60506856) is N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cccc(CNC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BUUAPCRDNFMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-19(27)16-8-4-5-14(11-16)12-24-21(28)17-13-25-26-18(9-10-23-20(17)26)15-6-2-1-3-7-15/h1-11,13H,12H2,(H2,22,27)(H,24,28).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60506856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).