3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C16H20N4O — CID 61259059

IUPAC3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESO=C(CCNC1CC1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N4O/c21-16(8-9-17-14-6-7-14)18-10-13-11-19-20(12-13)15-4-2-1-3-5-15/h1-5,11-12,14,17H,6-10H2,(H,18,21)
InChIKeyQTTVKKJURQDEGL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.63
Rot. Bonds7

About 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 61259059) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID61259059
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESO=C(CCNC1CC1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H20N4O/c21-16(8-9-17-14-6-7-14)18-10-13-11-19-20(12-13)15-4-2-1-3-5-15/h1-5,11-12,14,17H,6-10H2,(H,18,21)
InChIKeyQTTVKKJURQDEGL-UHFFFAOYSA-N
XLogP1.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
3-(2-nitroanilino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 46521303
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]prop-1-enyl]benzamide
CID 92851724
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134035986
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 61259059) is 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is O=C(CCNC1CC1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is QTTVKKJURQDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(8-9-17-14-6-7-14)18-10-13-11-19-20(12-13)15-4-2-1-3-5-15/h1-5,11-12,14,17H,6-10H2,(H,18,21).
What are the key properties of 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 61259059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).