4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide

C14H17ClN4O — CID 119058792

IUPAC4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H17ClN4O/c1-19(14(20)12-6-9(15)7-16-12)8-13-10-4-2-3-5-11(10)17-18-13/h6-7,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyILVUIOPXQXOIIT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.54
Rot. Bonds3

About 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 119058792) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID119058792
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H17ClN4O/c1-19(14(20)12-6-9(15)7-16-12)8-13-10-4-2-3-5-11(10)17-18-13/h6-7,16H,2-5,8H2,1H3,(H,17,18)
InChIKeyILVUIOPXQXOIIT-UHFFFAOYSA-N
XLogP2.54
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 119058792) is 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ILVUIOPXQXOIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19(14(20)12-6-9(15)7-16-12)8-13-10-4-2-3-5-11(10)17-18-13/h6-7,16H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119058792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).