N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide

C19H15ClN4O — CID 46334601

IUPACN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H15ClN4O/c1-24-18(8-9-21-24)19(25)22-15-5-2-12(3-6-15)17-11-13-10-14(20)4-7-16(13)23-17/h2-11,23H,1H3,(H,22,25)
InChIKeyWFZIMXCJTDLXMO-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.47
Rot. Bonds3

About N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 46334601) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID46334601
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C19H15ClN4O/c1-24-18(8-9-21-24)19(25)22-15-5-2-12(3-6-15)17-11-13-10-14(20)4-7-16(13)23-17/h2-11,23H,1H3,(H,22,25)
InChIKeyWFZIMXCJTDLXMO-UHFFFAOYSA-N
XLogP4.47
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide (CID 46334601) is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is WFZIMXCJTDLXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-24-18(8-9-21-24)19(25)22-15-5-2-12(3-6-15)17-11-13-10-14(20)4-7-16(13)23-17/h2-11,23H,1H3,(H,22,25).
What are the key properties of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide?
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46334601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).