N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide

C15H16ClN5O — CID 56731656

IUPACN-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCn2ncc3c(Cl)cccc32)cn1
InChIInChI=1S/C15H16ClN5O/c1-20-10-11(8-18-20)15(22)17-6-3-7-21-14-5-2-4-13(16)12(14)9-19-21/h2,4-5,8-10H,3,6-7H2,1H3,(H,17,22)
InChIKeyBPMXNBLPSFSMIM-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.24
Rot. Bonds5

About N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide

N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 56731656) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
PubChem CID56731656
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC NameN-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCn2ncc3c(Cl)cccc32)cn1
InChIInChI=1S/C15H16ClN5O/c1-20-10-11(8-18-20)15(22)17-6-3-7-21-14-5-2-4-13(16)12(14)9-19-21/h2,4-5,8-10H,3,6-7H2,1H3,(H,17,22)
InChIKeyBPMXNBLPSFSMIM-UHFFFAOYSA-N
XLogP2.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide (CID 56731656) is N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCCn2ncc3c(Cl)cccc32)cn1.
What is the InChIKey of N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BPMXNBLPSFSMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-20-10-11(8-18-20)15(22)17-6-3-7-21-14-5-2-4-13(16)12(14)9-19-21/h2,4-5,8-10H,3,6-7H2,1H3,(H,17,22).
What are the key properties of N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide?
N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroindazol-1-yl)propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56731656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).