N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide

C19H26N4O — CID 95159580

IUPACN-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN[C@H](C)Cn2cccn2)C2CC2)cc1
InChIInChI=1S/C19H26N4O/c1-14-4-6-16(7-5-14)19(17-8-9-17)22-18(24)12-20-15(2)13-23-11-3-10-21-23/h3-7,10-11,15,17,19-20H,8-9,12-13H2,1-2H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyJVTGRAPBMCUQCM-DNVCBOLYSA-N
MW326.44 g/mol
LogP2.44
Rot. Bonds8

About N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide

N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide (PubChem CID 95159580) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
PubChem CID95159580
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
SMILESCc1ccc([C@@H](NC(=O)CN[C@H](C)Cn2cccn2)C2CC2)cc1
InChIInChI=1S/C19H26N4O/c1-14-4-6-16(7-5-14)19(17-8-9-17)22-18(24)12-20-15(2)13-23-11-3-10-21-23/h3-7,10-11,15,17,19-20H,8-9,12-13H2,1-2H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyJVTGRAPBMCUQCM-DNVCBOLYSA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide (CID 95159580) is N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide is Cc1ccc([C@@H](NC(=O)CN[C@H](C)Cn2cccn2)C2CC2)cc1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
The InChIKey is JVTGRAPBMCUQCM-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-4-6-16(7-5-14)19(17-8-9-17)22-18(24)12-20-15(2)13-23-11-3-10-21-23/h3-7,10-11,15,17,19-20H,8-9,12-13H2,1-2H3,(H,22,24)/t15-,19-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide?
N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 95159580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).