2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide

C18H21N5O — CID 136549421

IUPAC2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide
SMILESCCn1cc(CC(=O)Nc2cnn(C(C)c3ccccc3)c2)cn1
InChIInChI=1S/C18H21N5O/c1-3-22-12-15(10-19-22)9-18(24)21-17-11-20-23(13-17)14(2)16-7-5-4-6-8-16/h4-8,10-14H,3,9H2,1-2H3,(H,21,24)
InChIKeyFIHVBRCLPZXJOG-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.89
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide

2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide (PubChem CID 136549421) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide
PubChem CID136549421
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide
SMILESCCn1cc(CC(=O)Nc2cnn(C(C)c3ccccc3)c2)cn1
InChIInChI=1S/C18H21N5O/c1-3-22-12-15(10-19-22)9-18(24)21-17-11-20-23(13-17)14(2)16-7-5-4-6-8-16/h4-8,10-14H,3,9H2,1-2H3,(H,21,24)
InChIKeyFIHVBRCLPZXJOG-UHFFFAOYSA-N
XLogP2.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
2-[[1-(1-phenylethyl)pyrazol-4-yl]methyl]propanedioic acid
CID 68505530
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107022931
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 166236553
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863
(2S)-2-amino-N-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961515
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide (CID 136549421) is 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide is CCn1cc(CC(=O)Nc2cnn(C(C)c3ccccc3)c2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide?
The InChIKey is FIHVBRCLPZXJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-22-12-15(10-19-22)9-18(24)21-17-11-20-23(13-17)14(2)16-7-5-4-6-8-16/h4-8,10-14H,3,9H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide?
2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-[1-(1-phenylethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 136549421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).