4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide

C14H13ClN4O — CID 843728

IUPAC4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H13ClN4O/c1-19-13(11(15)8-17-19)14(20)16-7-10-6-9-4-2-3-5-12(9)18-10/h2-6,8,18H,7H2,1H3,(H,16,20)
InChIKeyBRHCLTZKCKERMI-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 843728) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide
PubChem CID843728
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H13ClN4O/c1-19-13(11(15)8-17-19)14(20)16-7-10-6-9-4-2-3-5-12(9)18-10/h2-6,8,18H,7H2,1H3,(H,16,20)
InChIKeyBRHCLTZKCKERMI-UHFFFAOYSA-N
XLogP2.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide (CID 843728) is 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BRHCLTZKCKERMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-19-13(11(15)8-17-19)14(20)16-7-10-6-9-4-2-3-5-12(9)18-10/h2-6,8,18H,7H2,1H3,(H,16,20).
What are the key properties of 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 288.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 843728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).