3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

C16H22N4O — CID 62838193

IUPAC3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-3-17-13(2)9-16(21)18-10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-13,17H,3,9-10H2,1-2H3,(H,18,21)
InChIKeyNTRVULIMCNUPCO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.88
Rot. Bonds7

About 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide (PubChem CID 62838193) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
PubChem CID62838193
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-3-17-13(2)9-16(21)18-10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-13,17H,3,9-10H2,1-2H3,(H,18,21)
InChIKeyNTRVULIMCNUPCO-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
2-(4-methylphenyl)-2-[(1-phenylpyrazol-4-yl)methylamino]acetic acid
CID 86784996
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide (CID 62838193) is 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide is CCNC(C)CC(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The InChIKey is NTRVULIMCNUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-13(2)9-16(21)18-10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-13,17H,3,9-10H2,1-2H3,(H,18,21).
What are the key properties of 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 62838193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).