N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide

C19H20N4O — CID 95906018

IUPACN-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
SMILESC[C@H](NC(=O)CCc1ccccn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H20N4O/c1-15(22-19(24)10-9-17-7-2-3-11-20-17)16-6-4-8-18(14-16)23-13-5-12-21-23/h2-8,11-15H,9-10H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyJZHCGORHVDGKCP-HNNXBMFYSA-N
MW320.40 g/mol
LogP3.08
Rot. Bonds6

About N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide

N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 95906018) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID95906018
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
SMILESC[C@H](NC(=O)CCc1ccccn1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H20N4O/c1-15(22-19(24)10-9-17-7-2-3-11-20-17)16-6-4-8-18(14-16)23-13-5-12-21-23/h2-8,11-15H,9-10H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyJZHCGORHVDGKCP-HNNXBMFYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 95906052
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
2-indazol-1-yl-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906025
2-indazol-1-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906024
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide (CID 95906018) is N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide is C[C@H](NC(=O)CCc1ccccn1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is JZHCGORHVDGKCP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(22-19(24)10-9-17-7-2-3-11-20-17)16-6-4-8-18(14-16)23-13-5-12-21-23/h2-8,11-15H,9-10H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 320.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 95906018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).