N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22N4O — CID 138014016

IUPACN-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(CCNC(=O)c2cnn3c2NCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-2-13-4-6-14(7-5-13)8-10-19-17(22)15-12-20-21-11-3-9-18-16(15)21/h4-7,12,18H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyOPCPDOJRJHEBJF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 138014016) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID138014016
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccc(CCNC(=O)c2cnn3c2NCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-2-13-4-6-14(7-5-13)8-10-19-17(22)15-12-20-21-11-3-9-18-16(15)21/h4-7,12,18H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyOPCPDOJRJHEBJF-UHFFFAOYSA-N
XLogP2.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]benzoic acid
CID 120512943
N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537094
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
N-[2-(4-ethylphenyl)butan-2-yl]-8,8-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a][1,3]diazepine-3-carboxamide
CID 146429442
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 158603842
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 138014016) is N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(CCNC(=O)c2cnn3c2NCCC3)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OPCPDOJRJHEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-13-4-6-14(7-5-13)8-10-19-17(22)15-12-20-21-11-3-9-18-16(15)21/h4-7,12,18H,2-3,8-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 138014016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).