4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide

C17H26ClN3O — CID 4768055

IUPAC4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H26ClN3O/c1-20-16(15(18)12-19-20)17(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyVQDXMUUEUNXXPC-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide

4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide (PubChem CID 4768055) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide
PubChem CID4768055
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H26ClN3O/c1-20-16(15(18)12-19-20)17(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKeyVQDXMUUEUNXXPC-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide (CID 4768055) is 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide?
The InChIKey is VQDXMUUEUNXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-20-16(15(18)12-19-20)17(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3.
What are the key properties of 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide?
4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide has a molecular weight of 323.87 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dicyclohexyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4768055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).