N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide

C16H19N3O — CID 74244776

IUPACN-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H19N3O/c20-16(8-4-5-12-10-17-18-11-12)19-15-9-14(15)13-6-2-1-3-7-13/h1-3,6-7,10-11,14-15H,4-5,8-9H2,(H,17,18)(H,19,20)/t14-,15+/m0/s1
InChIKeyGPUVKTNBLOBXJM-LSDHHAIUSA-N
MW269.35 g/mol
LogP2.40
Rot. Bonds6

About N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 74244776) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID74244776
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H19N3O/c20-16(8-4-5-12-10-17-18-11-12)19-15-9-14(15)13-6-2-1-3-7-13/h1-3,6-7,10-11,14-15H,4-5,8-9H2,(H,17,18)(H,19,20)/t14-,15+/m0/s1
InChIKeyGPUVKTNBLOBXJM-LSDHHAIUSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
CID 75509288
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 133267954
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
2-[(3S,4R)-3-propan-2-yl-4-[4-(1H-pyrazol-4-yl)butanoylamino]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 154898396
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
3-(benzenesulfonamido)-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
CID 95191262
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
2-phenyl-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 54897003
2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
CID 62498054
N-[1-(2-phenylethyl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45241321

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide (CID 74244776) is N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide is O=C(CCCc1cn[nH]c1)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is GPUVKTNBLOBXJM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(8-4-5-12-10-17-18-11-12)19-15-9-14(15)13-6-2-1-3-7-13/h1-3,6-7,10-11,14-15H,4-5,8-9H2,(H,17,18)(H,19,20)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 269.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 74244776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).