1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine

C15H26N4 — CID 115562579

IUPAC1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(N2CC3CCCC3C2)c1CC(C)N
InChIInChI=1S/C15H26N4/c1-10(16)7-14-11(2)17-18(3)15(14)19-8-12-5-4-6-13(12)9-19/h10,12-13H,4-9,16H2,1-3H3
InChIKeyDSHFCVFGLFLDFO-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.85
Rot. Bonds3

About 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 115562579) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID115562579
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(N2CC3CCCC3C2)c1CC(C)N
InChIInChI=1S/C15H26N4/c1-10(16)7-14-11(2)17-18(3)15(14)19-8-12-5-4-6-13(12)9-19/h10,12-13H,4-9,16H2,1-3H3
InChIKeyDSHFCVFGLFLDFO-UHFFFAOYSA-N
XLogP1.85
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63793784
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 115560687
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
CID 66371633
1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
CID 63795740
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 113335507
N-[[1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 61226605
1-[1,3-dimethyl-5-(4-methylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 63815356
1-[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 55235642
[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methanamine
CID 66392435
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-methylcyclohexyl)pyrazol-5-amine
CID 63815837
1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817668

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 115562579) is 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine is Cc1nn(C)c(N2CC3CCCC3C2)c1CC(C)N.
What is the InChIKey of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is DSHFCVFGLFLDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-10(16)7-14-11(2)17-18(3)15(14)19-8-12-5-4-6-13(12)9-19/h10,12-13H,4-9,16H2,1-3H3.
What are the key properties of 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 115562579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).