N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C26H25ClN4O2 — CID 151685582

IUPACN-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESC[C@@H](O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C26H25ClN4O2/c1-17(32)12-23(13-18-7-9-19(10-8-18)20-4-2-6-22(27)14-20)29-26(33)25-15-24(30-31-25)21-5-3-11-28-16-21/h2-11,14-17,23,32H,12-13H2,1H3,(H,29,33)(H,30,31)/t17-,23+/m1/s1
InChIKeyRBLWTPIYOPEWKM-HXOBKFHXSA-N
MW460.97 g/mol
LogP4.90
Rot. Bonds8

About N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 151685582) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID151685582
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC NameN-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESC[C@@H](O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C26H25ClN4O2/c1-17(32)12-23(13-18-7-9-19(10-8-18)20-4-2-6-22(27)14-20)29-26(33)25-15-24(30-31-25)21-5-3-11-28-16-21/h2-11,14-17,23,32H,12-13H2,1H3,(H,29,33)(H,30,31)/t17-,23+/m1/s1
InChIKeyRBLWTPIYOPEWKM-HXOBKFHXSA-N
XLogP4.90
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67974562
5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67973809
3-[[(2S,4S)-4-carboxy-1-[4-(3-chlorophenyl)phenyl]pentan-2-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 59608211
2-hydroxy-5-(4-phenylphenyl)-4-[(3-pyrazin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 67969795
ethyl (2R)-5-[4-(3-chlorophenyl)phenyl]-2-methyl-4-[(2-oxo-3H-1,3,4-oxadiazole-5-carbonyl)amino]pentanoate
CID 126724204
(2R,4R)-4-[(3-acetyl-1H-pyrazole-5-carbonyl)amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 67969619
(2R,4R)-2-hydroxy-4-[[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-(4-phenylphenyl)pentanoic acid
CID 67969724
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[[2-oxo-2-(pyridin-4-ylamino)acetyl]amino]pentanoic acid
CID 90386915
ethyl (2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-(2H-triazole-4-carbonylamino)pentanoate;2,2,2-trifluoroacetic acid
CID 175726629
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-4-[(2-ethoxyacetyl)amino]-2-hydroxypentanoic acid
CID 90387048
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 67969790
(2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(2-oxo-3-phenylpropanoyl)amino]pentanoic acid
CID 78324883

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 151685582) is N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is C[C@@H](O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is RBLWTPIYOPEWKM-HXOBKFHXSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-17(32)12-23(13-18-7-9-19(10-8-18)20-4-2-6-22(27)14-20)29-26(33)25-15-24(30-31-25)21-5-3-11-28-16-21/h2-11,14-17,23,32H,12-13H2,1H3,(H,29,33)(H,30,31)/t17-,23+/m1/s1.
What are the key properties of N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxypentan-2-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 151685582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).