4-chloro-N,N,1-triethylpyrazole-5-carboxamide

C10H16ClN3O — CID 19575784

IUPAC4-chloro-N,N,1-triethylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C10H16ClN3O/c1-4-13(5-2)10(15)9-8(11)7-12-14(9)6-3/h7H,4-6H2,1-3H3
InChIKeyOFPPFYXXMDAHSN-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.04
Rot. Bonds4

About 4-chloro-N,N,1-triethylpyrazole-5-carboxamide

4-chloro-N,N,1-triethylpyrazole-5-carboxamide (PubChem CID 19575784) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-N,N,1-triethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N,1-triethylpyrazole-5-carboxamide
PubChem CID19575784
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-chloro-N,N,1-triethylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C10H16ClN3O/c1-4-13(5-2)10(15)9-8(11)7-12-14(9)6-3/h7H,4-6H2,1-3H3
InChIKeyOFPPFYXXMDAHSN-UHFFFAOYSA-N
XLogP2.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-Bromo-N,N,1-triethyl-1H-pyrazole-5-carboxamide
CID 4770548
4-chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 7020586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N,1-triethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N,N,1-triethylpyrazole-5-carboxamide (CID 19575784) is 4-chloro-N,N,1-triethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N,N,1-triethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N,N,1-triethylpyrazole-5-carboxamide is CCN(CC)C(=O)c1c(Cl)cnn1CC.
What is the InChIKey of 4-chloro-N,N,1-triethylpyrazole-5-carboxamide?
The InChIKey is OFPPFYXXMDAHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-13(5-2)10(15)9-8(11)7-12-14(9)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-chloro-N,N,1-triethylpyrazole-5-carboxamide?
4-chloro-N,N,1-triethylpyrazole-5-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N,1-triethylpyrazole-5-carboxamide is sourced from PubChem (CID 19575784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).