N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide

C14H13Cl2N3O2 — CID 4867070

IUPACN-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c15-10-2-1-3-11(16)13(10)21-8-19-7-6-12(18-19)14(20)17-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H,17,20)
InChIKeyCKYGLHIQYHZNMO-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide

N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4867070) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4867070
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC NameN-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1ccn(COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c15-10-2-1-3-11(16)13(10)21-8-19-7-6-12(18-19)14(20)17-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H,17,20)
InChIKeyCKYGLHIQYHZNMO-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide (CID 4867070) is N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(NC1CC1)c1ccn(COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is CKYGLHIQYHZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-10-2-1-3-11(16)13(10)21-8-19-7-6-12(18-19)14(20)17-9-4-5-9/h1-3,6-7,9H,4-5,8H2,(H,17,20).
What are the key properties of N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?
N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4867070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).