N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H16N4O — CID 53040792

IUPACN-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccccc2)nc2ccnn12
InChIInChI=1S/C16H16N4O/c1-2-13-10-14(19-15-8-9-18-20(13)15)16(21)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,21)
InChIKeyKYSBDIIPOSWYLN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.22
Rot. Bonds4

About N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040792) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040792
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccccc2)nc2ccnn12
InChIInChI=1S/C16H16N4O/c1-2-13-10-14(19-15-8-9-18-20(13)15)16(21)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,21)
InChIKeyKYSBDIIPOSWYLN-UHFFFAOYSA-N
XLogP2.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-N-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040834
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110850843
7-ethyl-N-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040791
N-[(3,4-difluorophenyl)methyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 143588726
7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171784
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 90908407
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075
2-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetic acid
CID 59462863
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040792) is N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)NCc2ccccc2)nc2ccnn12.
What is the InChIKey of N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KYSBDIIPOSWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-13-10-14(19-15-8-9-18-20(13)15)16(21)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,21).
What are the key properties of N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).