4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C12H19ClN4O — CID 6469224

IUPAC4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H19ClN4O/c1-16-11(10(13)9-15-16)12(18)14-5-8-17-6-3-2-4-7-17/h9H,2-8H2,1H3,(H,14,18)
InChIKeyAZULLFDBEQKOJS-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.29
Rot. Bonds4

About 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 6469224) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID6469224
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H19ClN4O/c1-16-11(10(13)9-15-16)12(18)14-5-8-17-6-3-2-4-7-17/h9H,2-8H2,1H3,(H,14,18)
InChIKeyAZULLFDBEQKOJS-UHFFFAOYSA-N
XLogP1.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
(4-Chloro-2-methylpyrazol-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6464556
4-chloro-1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 843848
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
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
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 6469224) is 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCCN1CCCCC1.
What is the InChIKey of 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is AZULLFDBEQKOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-16-11(10(13)9-15-16)12(18)14-5-8-17-6-3-2-4-7-17/h9H,2-8H2,1H3,(H,14,18).
What are the key properties of 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 6469224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).