4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide

C17H16ClF4N3O2 — CID 19433080

IUPAC4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCc2c(F)c(F)c(OCC3CC3)c(F)c2F)c1Cl
InChIInChI=1S/C17H16ClF4N3O2/c1-7-10(18)15(25(2)24-7)17(26)23-5-9-11(19)13(21)16(14(22)12(9)20)27-6-8-3-4-8/h8H,3-6H2,1-2H3,(H,23,26)
InChIKeyIKBZUPYDTZUCLT-UHFFFAOYSA-N
MW405.78 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19433080) has the molecular formula C17H16ClF4N3O2 and a molecular weight of 405.78 g/mol. Its IUPAC name is 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19433080
Molecular FormulaC17H16ClF4N3O2
Molecular Weight405.78 g/mol
Exact Mass405.09
IUPAC Name4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCc2c(F)c(F)c(OCC3CC3)c(F)c2F)c1Cl
InChIInChI=1S/C17H16ClF4N3O2/c1-7-10(18)15(25(2)24-7)17(26)23-5-9-11(19)13(21)16(14(22)12(9)20)27-6-8-3-4-8/h8H,3-6H2,1-2H3,(H,23,26)
InChIKeyIKBZUPYDTZUCLT-UHFFFAOYSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 19433080) is 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCc2c(F)c(F)c(OCC3CC3)c(F)c2F)c1Cl.
What is the InChIKey of 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is IKBZUPYDTZUCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF4N3O2/c1-7-10(18)15(25(2)24-7)17(26)23-5-9-11(19)13(21)16(14(22)12(9)20)27-6-8-3-4-8/h8H,3-6H2,1-2H3,(H,23,26).
What are the key properties of 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 405.78 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(cyclopropylmethoxy)-2,3,5,6-tetrafluorophenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19433080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).