N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C16H19N3O — CID 52528125

IUPACN-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C16H19N3O/c1-12(14-7-8-14)18-16(20)9-13-10-17-19(11-13)15-5-3-2-4-6-15/h2-6,10-12,14H,7-9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyPZBKDRJQRCHKLH-LBPRGKRZSA-N
MW269.35 g/mol
LogP2.33
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 52528125) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID52528125
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)C1CC1
InChIInChI=1S/C16H19N3O/c1-12(14-7-8-14)18-16(20)9-13-10-17-19(11-13)15-5-3-2-4-6-15/h2-6,10-12,14H,7-9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyPZBKDRJQRCHKLH-LBPRGKRZSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 98750977
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18146630
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
(2S)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 120615170
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 52528125) is N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide is C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is PZBKDRJQRCHKLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(14-7-8-14)18-16(20)9-13-10-17-19(11-13)15-5-3-2-4-6-15/h2-6,10-12,14H,7-9H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 52528125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).