4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide

C14H16ClN3O — CID 850318

IUPAC4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccccc2)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-7-11-12(15)13(18(2)17-11)14(19)16-10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)
InChIKeyYFZJXCMIMFNIGB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.28
Rot. Bonds4

About 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide

4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide (PubChem CID 850318) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide
PubChem CID850318
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(=O)Nc2ccccc2)c1Cl
InChIInChI=1S/C14H16ClN3O/c1-3-7-11-12(15)13(18(2)17-11)14(19)16-10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,19)
InChIKeyYFZJXCMIMFNIGB-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide (CID 850318) is 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(=O)Nc2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide?
The InChIKey is YFZJXCMIMFNIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-7-11-12(15)13(18(2)17-11)14(19)16-10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide?
4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-phenyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 850318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).