4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide

C12H18ClN3O — CID 892375

IUPAC4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-16-8-10(13)11(15-16)12(17)14-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyZRMIRIFQFSCJKF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.53
Rot. Bonds2

About 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide

4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide (PubChem CID 892375) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide
PubChem CID892375
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C12H18ClN3O/c1-16-8-10(13)11(15-16)12(17)14-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyZRMIRIFQFSCJKF-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
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CID 903382
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
N-cyclopentyl-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 903107
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
N-(4-tert-butylcyclohexyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
CID 4771850
4-chloro-1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19263329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide (CID 892375) is 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide?
The InChIKey is ZRMIRIFQFSCJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-16-8-10(13)11(15-16)12(17)14-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,17).
What are the key properties of 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide?
4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 892375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).