N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide

C18H22N4O2 — CID 71705985

IUPACN-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cc(C)n(C)n1)cn2C(C)C
InChIInChI=1S/C18H22N4O2/c1-11(2)22-10-15(14-9-13(24-5)6-7-16(14)22)18(23)19-17-8-12(3)21(4)20-17/h6-11H,1-5H3,(H,19,20,23)
InChIKeyHUMHZUPYRWXANK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.53
Rot. Bonds4

About N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide

N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide (PubChem CID 71705985) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide
PubChem CID71705985
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1cc(C)n(C)n1)cn2C(C)C
InChIInChI=1S/C18H22N4O2/c1-11(2)22-10-15(14-9-13(24-5)6-7-16(14)22)18(23)19-17-8-12(3)21(4)20-17/h6-11H,1-5H3,(H,19,20,23)
InChIKeyHUMHZUPYRWXANK-UHFFFAOYSA-N
XLogP3.53
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide (CID 71705985) is N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1cc(C)n(C)n1)cn2C(C)C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
The InChIKey is HUMHZUPYRWXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)22-10-15(14-9-13(24-5)6-7-16(14)22)18(23)19-17-8-12(3)21(4)20-17/h6-11H,1-5H3,(H,19,20,23).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide?
N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-5-methoxy-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 71705985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).