N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide

C18H17ClN6O — CID 70656146

IUPACN-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(C)n2ccc(-c3ccc(C#N)c(Cl)c3)n2)[nH]1
InChIInChI=1S/C18H17ClN6O/c1-11(9-22-18(26)17-10-21-12(2)23-17)25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,10-11H,9H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyLVOJYNRHBHIMKC-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide

N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 70656146) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID70656146
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC NameN-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(C)n2ccc(-c3ccc(C#N)c(Cl)c3)n2)[nH]1
InChIInChI=1S/C18H17ClN6O/c1-11(9-22-18(26)17-10-21-12(2)23-17)25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,10-11H,9H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyLVOJYNRHBHIMKC-UHFFFAOYSA-N
XLogP3.10
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11495611
CID 11495611
CID 11532717
CID 11532717
CID 11575498
CID 11575498
CID 165414903
CID 165414903
CID 165415022
CID 165415022
CID 53321553
CID 53321553
CID 53324214
CID 53324214
CID 164611515
CID 164611515
CID 164618055
CID 164618055
CID 66576597
CID 66576597
CID 70657399
CID 70657399
CID 67172274
CID 67172274

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide (CID 70656146) is N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCC(C)n2ccc(-c3ccc(C#N)c(Cl)c3)n2)[nH]1.
What is the InChIKey of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is LVOJYNRHBHIMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-11(9-22-18(26)17-10-21-12(2)23-17)25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,10-11H,9H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 368.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70656146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).