N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide

C15H18ClN3O2 — CID 47084046

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2ccnn2C)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-10(2)9-21-14-5-4-11(8-12(14)16)18-15(20)13-6-7-17-19(13)3/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyHMGPTWJRCKMPCV-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.36
Rot. Bonds5

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 47084046) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID47084046
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2ccnn2C)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-10(2)9-21-14-5-4-11(8-12(14)16)18-15(20)13-6-7-17-19(13)3/h4-8,10H,9H2,1-3H3,(H,18,20)
InChIKeyHMGPTWJRCKMPCV-UHFFFAOYSA-N
XLogP3.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide (CID 47084046) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide is CC(C)COc1ccc(NC(=O)c2ccnn2C)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is HMGPTWJRCKMPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(2)9-21-14-5-4-11(8-12(14)16)18-15(20)13-6-7-17-19(13)3/h4-8,10H,9H2,1-3H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 47084046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).