N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide

C16H17N5O2 — CID 869781

IUPACN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)n[nH]1
InChIInChI=1S/C16H17N5O2/c1-9(2)21-13-7-5-4-6-11(13)14(16(21)23)19-20-15(22)12-8-10(3)17-18-12/h4-9,23H,1-3H3,(H,17,18)/b20-19+
InChIKeyWNFIXNFHDRMTJC-FMQUCBEESA-N
MW311.35 g/mol
LogP3.88
Rot. Bonds3

About N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide

N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 869781) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID869781
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)n[nH]1
InChIInChI=1S/C16H17N5O2/c1-9(2)21-13-7-5-4-6-11(13)14(16(21)23)19-20-15(22)12-8-10(3)17-18-12/h4-9,23H,1-3H3,(H,17,18)/b20-19+
InChIKeyWNFIXNFHDRMTJC-FMQUCBEESA-N
XLogP3.88
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide (CID 869781) is N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)n[nH]1.
What is the InChIKey of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is WNFIXNFHDRMTJC-FMQUCBEESA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9(2)21-13-7-5-4-6-11(13)14(16(21)23)19-20-15(22)12-8-10(3)17-18-12/h4-9,23H,1-3H3,(H,17,18)/b20-19+.
What are the key properties of N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide?
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 869781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).