[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C19H30N4O — CID 45162178

IUPAC[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCCC2)c2c1CCC(NC1CC1)C2
InChIInChI=1S/C19H30N4O/c1-13(2)12-23-17-8-7-15(20-14-5-6-14)11-16(17)18(21-23)19(24)22-9-3-4-10-22/h13-15,20H,3-12H2,1-2H3
InChIKeyRWRZQCBJCFLJQM-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.38
Rot. Bonds5

About [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45162178) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID45162178
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1nc(C(=O)N2CCCC2)c2c1CCC(NC1CC1)C2
InChIInChI=1S/C19H30N4O/c1-13(2)12-23-17-8-7-15(20-14-5-6-14)11-16(17)18(21-23)19(24)22-9-3-4-10-22/h13-15,20H,3-12H2,1-2H3
InChIKeyRWRZQCBJCFLJQM-UHFFFAOYSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 45162178) is [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CCC(NC1CC1)C2.
What is the InChIKey of [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RWRZQCBJCFLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13(2)12-23-17-8-7-15(20-14-5-6-14)11-16(17)18(21-23)19(24)22-9-3-4-10-22/h13-15,20H,3-12H2,1-2H3.
What are the key properties of [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 330.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45162178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).