(2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide

C17H15ClN4O — CID 169408178

IUPAC(2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESC[C@@H](C(=O)Nc1cnccc1-n1cccn1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeyLMUJWKIRCRWFKF-GFCCVEGCSA-N
MW326.79 g/mol
LogP3.66
Rot. Bonds4

About (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide

(2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 169408178) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID169408178
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name(2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESC[C@@H](C(=O)Nc1cnccc1-n1cccn1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKeyLMUJWKIRCRWFKF-GFCCVEGCSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24798011
CID 24798011
CID 117769396
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CID 118285705
CID 118285705
CID 118286034
CID 118286034
CID 118286035
CID 118286035
CID 70702010
CID 70702010
CID 156027238
CID 156027238
CID 164624443
CID 164624443
CID 164624692
CID 164624692
CID 11839529
CID 11839529
CID 16194125
CID 16194125
CID 16024956
CID 16024956

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide (CID 169408178) is (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide is C[C@@H](C(=O)Nc1cnccc1-n1cccn1)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is LMUJWKIRCRWFKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide?
(2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 326.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-N-(4-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 169408178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).