(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone

C19H16N4O — CID 1263279

IUPAC(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone
SMILESCc1nn(C(=O)c2c[nH]c3ccccc23)c(N)c1-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-12-17(13-7-3-2-4-8-13)18(20)23(22-12)19(24)15-11-21-16-10-6-5-9-14(15)16/h2-11,21H,20H2,1H3
InChIKeyUBAOZWZNNQJLED-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.61
Rot. Bonds2

About (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone

(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone (PubChem CID 1263279) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone
PubChem CID1263279
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone
SMILESCc1nn(C(=O)c2c[nH]c3ccccc23)c(N)c1-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-12-17(13-7-3-2-4-8-13)18(20)23(22-12)19(24)15-11-21-16-10-6-5-9-14(15)16/h2-11,21H,20H2,1H3
InChIKeyUBAOZWZNNQJLED-UHFFFAOYSA-N
XLogP3.61
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone?
The IUPAC name of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone (CID 1263279) is (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone.
What is the SMILES notation for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone?
The canonical SMILES for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone is Cc1nn(C(=O)c2c[nH]c3ccccc23)c(N)c1-c1ccccc1.
What is the InChIKey of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone?
The InChIKey is UBAOZWZNNQJLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-17(13-7-3-2-4-8-13)18(20)23(22-12)19(24)15-11-21-16-10-6-5-9-14(15)16/h2-11,21H,20H2,1H3.
What are the key properties of (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone?
(5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methyl-4-phenylpyrazol-1-yl)-(1H-indol-3-yl)methanone is sourced from PubChem (CID 1263279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).