2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

C16H19N3O — CID 79506463

IUPAC2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-c2ccn[nH]2)cc1)C1CC1
InChIInChI=1S/C16H19N3O/c1-11(13-6-7-13)16(20)17-10-12-2-4-14(5-3-12)15-8-9-18-19-15/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeySYVHIAMRHYVXHG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds5

About 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 79506463) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
PubChem CID79506463
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-c2ccn[nH]2)cc1)C1CC1
InChIInChI=1S/C16H19N3O/c1-11(13-6-7-13)16(20)17-10-12-2-4-14(5-3-12)15-8-9-18-19-15/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,17,20)(H,18,19)
InChIKeySYVHIAMRHYVXHG-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 71893433
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 116675831
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 102779045
3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 55839808
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
1-[(1R,3S)-3-methylsulfanylcyclopentyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 96518795
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 114826301
1-[[(3S)-oxolan-3-yl]methyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 94181232

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (CID 79506463) is 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(-c2ccn[nH]2)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is SYVHIAMRHYVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(13-6-7-13)16(20)17-10-12-2-4-14(5-3-12)15-8-9-18-19-15/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 79506463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).