N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide

C17H15ClN6O — CID 70655902

IUPACN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1ccn[nH]1
InChIInChI=1S/C17H15ClN6O/c1-11(21-17(25)16-4-6-20-22-16)10-24-7-5-15(23-24)12-2-3-13(9-19)14(18)8-12/h2-8,11H,10H2,1H3,(H,20,22)(H,21,25)/t11-/m0/s1
InChIKeyRLSAEILUFWVCTN-NSHDSACASA-N
MW354.80 g/mol
LogP2.62
Rot. Bonds5

About N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 70655902) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID70655902
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1ccn[nH]1
InChIInChI=1S/C17H15ClN6O/c1-11(21-17(25)16-4-6-20-22-16)10-24-7-5-15(23-24)12-2-3-13(9-19)14(18)8-12/h2-8,11H,10H2,1H3,(H,20,22)(H,21,25)/t11-/m0/s1
InChIKeyRLSAEILUFWVCTN-NSHDSACASA-N
XLogP2.62
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Darolutamide
CID 67171867
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
(S)-5-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide
CID 52919826
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-ethyl-N-methyl-1H-pyrrole-2-carboxamide
CID 135523935
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 135523938
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((R)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523941
N-((S)-Carbamoyl(phenyl)methyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135523947
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-((S)-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 135523960
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 4394883
ODM-201 (Darolutamide)
CID 67171868
(2S)-2-({4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-yl}formamido)-N-methyl-2-phenylacetamide
CID 135523948
N'-[(E)-(2-chlorophenyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6888625

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide (CID 70655902) is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide is C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is RLSAEILUFWVCTN-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-11(21-17(25)16-4-6-20-22-16)10-24-7-5-15(23-24)12-2-3-13(9-19)14(18)8-12/h2-8,11H,10H2,1H3,(H,20,22)(H,21,25)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide?
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70655902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).