N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide

C20H22N4O — CID 97089030

IUPACN-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-16(17-6-3-2-4-7-17)22-18-8-10-19(11-9-18)23-20(25)12-15-24-14-5-13-21-24/h2-11,13-14,16,22H,12,15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyJLRKPQHLRBDRAZ-MRXNPFEDSA-N
MW334.42 g/mol
LogP4.09
Rot. Bonds7

About N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide

N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide (PubChem CID 97089030) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
PubChem CID97089030
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-16(17-6-3-2-4-7-17)22-18-8-10-19(11-9-18)23-20(25)12-15-24-14-5-13-21-24/h2-11,13-14,16,22H,12,15H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyJLRKPQHLRBDRAZ-MRXNPFEDSA-N
XLogP4.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-[[(1S)-1-phenylethyl]amino]phenyl]propanamide
CID 52507961
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 47175480
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026778
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87038105
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
3-pyrazol-1-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 31816779
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide (CID 97089030) is N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide is C[C@@H](Nc1ccc(NC(=O)CCn2cccn2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is JLRKPQHLRBDRAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16(17-6-3-2-4-7-17)22-18-8-10-19(11-9-18)23-20(25)12-15-24-14-5-13-21-24/h2-11,13-14,16,22H,12,15H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide?
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 97089030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).