N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide

C19H17N5O — CID 154775507

IUPACN-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3[nH]2)c(-c2cccnc2)n1
InChIInChI=1S/C19H17N5O/c1-24-12-16(18(23-24)14-6-4-8-20-10-14)19(25)21-11-15-9-13-5-2-3-7-17(13)22-15/h2-10,12,22H,11H2,1H3,(H,21,25)
InChIKeyHCSVJXSTLMNKJI-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.89
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 154775507) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID154775507
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3[nH]2)c(-c2cccnc2)n1
InChIInChI=1S/C19H17N5O/c1-24-12-16(18(23-24)14-6-4-8-20-10-14)19(25)21-11-15-9-13-5-2-3-7-17(13)22-15/h2-10,12,22H,11H2,1H3,(H,21,25)
InChIKeyHCSVJXSTLMNKJI-UHFFFAOYSA-N
XLogP2.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1H-indol-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 843728
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 166234870
1H-indol-2-ylmethylcarbamic acid
CID 68691362
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 51096775
N-[(5-chlorothiophen-2-yl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 32829207
1-cyclopropyl-N-(1H-indol-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56800366
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17435310
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47074904
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 154775507) is N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cc3ccccc3[nH]2)c(-c2cccnc2)n1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is HCSVJXSTLMNKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-12-16(18(23-24)14-6-4-8-20-10-14)19(25)21-11-15-9-13-5-2-3-7-17(13)22-15/h2-10,12,22H,11H2,1H3,(H,21,25).
What are the key properties of N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-1-methyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 154775507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).