2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide

C16H22N4O — CID 43225383

IUPAC2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-3-9-17-16(21)13(2)18-10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-13,18H,3,9-10H2,1-2H3,(H,17,21)
InChIKeyAOWBYVNGANSECR-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.88
Rot. Bonds7

About 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide

2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide (PubChem CID 43225383) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
PubChem CID43225383
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-3-9-17-16(21)13(2)18-10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-13,18H,3,9-10H2,1-2H3,(H,17,21)
InChIKeyAOWBYVNGANSECR-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

2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631537
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
2-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-propylguanidine
CID 111227893
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide (CID 43225383) is 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide?
The InChIKey is AOWBYVNGANSECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-17-16(21)13(2)18-10-14-11-19-20(12-14)15-7-5-4-6-8-15/h4-8,11-13,18H,3,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide?
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide 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 2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 43225383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).