5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide

C24H24ClN5O2 — CID 141390922

IUPAC5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)Cn2ccnc2)c1Cl
InChIInChI=1S/C24H24ClN5O2/c1-17-22(23(25)30(28-17)20-10-6-7-11-21(20)32-2)24(31)27-19(15-29-13-12-26-16-29)14-18-8-4-3-5-9-18/h3-13,16,19H,14-15H2,1-2H3,(H,27,31)/t19-/m0/s1
InChIKeyUTSNPMHGRPLXAE-IBGZPJMESA-N
MW449.94 g/mol
LogP4.08
Rot. Bonds8

About 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide

5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 141390922) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID141390922
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)Cn2ccnc2)c1Cl
InChIInChI=1S/C24H24ClN5O2/c1-17-22(23(25)30(28-17)20-10-6-7-11-21(20)32-2)24(31)27-19(15-29-13-12-26-16-29)14-18-8-4-3-5-9-18/h3-13,16,19H,14-15H2,1-2H3,(H,27,31)/t19-/m0/s1
InChIKeyUTSNPMHGRPLXAE-IBGZPJMESA-N
XLogP4.08
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 141390922) is 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide is COc1ccccc1-n1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)Cn2ccnc2)c1Cl.
What is the InChIKey of 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is UTSNPMHGRPLXAE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-17-22(23(25)30(28-17)20-10-6-7-11-21(20)32-2)24(31)27-19(15-29-13-12-26-16-29)14-18-8-4-3-5-9-18/h3-13,16,19H,14-15H2,1-2H3,(H,27,31)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 141390922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).