N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide

C11H14ClN5O — CID 118781993

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCCn2cc(Cl)cn2)c1
InChIInChI=1S/C11H14ClN5O/c1-16-7-10(14-8-16)11(18)13-3-2-4-17-6-9(12)5-15-17/h5-8H,2-4H2,1H3,(H,13,18)
InChIKeyNHMCZWPVWUOBNZ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.09
Rot. Bonds5

About N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide

N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide (PubChem CID 118781993) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
PubChem CID118781993
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCCCn2cc(Cl)cn2)c1
InChIInChI=1S/C11H14ClN5O/c1-16-7-10(14-8-16)11(18)13-3-2-4-17-6-9(12)5-15-17/h5-8H,2-4H2,1H3,(H,13,18)
InChIKeyNHMCZWPVWUOBNZ-UHFFFAOYSA-N
XLogP1.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
N-(3-azidopropyl)-1-methylimidazole-4-carboxamide
CID 107974564
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
7-[chloro(difluoro)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458153
N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479985
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(dimethylcarbamoylamino)acetamide
CID 118772227
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide (CID 118781993) is N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCCCn2cc(Cl)cn2)c1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide?
The InChIKey is NHMCZWPVWUOBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-16-7-10(14-8-16)11(18)13-3-2-4-17-6-9(12)5-15-17/h5-8H,2-4H2,1H3,(H,13,18).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 118781993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).