N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide

C15H16N4O — CID 47113057

IUPACN-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N4O/c1-9-14(10(2)19(3)18-9)17-15(20)12-8-16-13-7-5-4-6-11(12)13/h4-8,16H,1-3H3,(H,17,20)
InChIKeyXZWOPNHIKFFPCB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds2

About N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide

N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 47113057) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID47113057
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N4O/c1-9-14(10(2)19(3)18-9)17-15(20)12-8-16-13-7-5-4-6-11(12)13/h4-8,16H,1-3H3,(H,17,20)
InChIKeyXZWOPNHIKFFPCB-UHFFFAOYSA-N
XLogP2.77
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
CID 61258967
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
N-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 115572262
N-(6-chloro-2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 107301351
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 3773288
N-(2-chloro-4,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 113205562
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 135778026
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712

Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide (CID 47113057) is N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is XZWOPNHIKFFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-14(10(2)19(3)18-9)17-15(20)12-8-16-13-7-5-4-6-11(12)13/h4-8,16H,1-3H3,(H,17,20).
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide?
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 47113057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).