1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine

C16H29N5 — CID 63171805

IUPAC1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1cnn(C)c1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H29N5/c1-3-15(17)16(13-10-18-19(2)11-13)21-9-6-14(12-21)20-7-4-5-8-20/h10-11,14-16H,3-9,12,17H2,1-2H3
InChIKeyXRCOWTACQAIIHD-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.37
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine

1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine (PubChem CID 63171805) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
PubChem CID63171805
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1cnn(C)c1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H29N5/c1-3-15(17)16(13-10-18-19(2)11-13)21-9-6-14(12-21)20-7-4-5-8-20/h10-11,14-16H,3-9,12,17H2,1-2H3
InChIKeyXRCOWTACQAIIHD-UHFFFAOYSA-N
XLogP1.37
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
CID 81205355
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 79175205
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 102725549
1-pyridin-4-yl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171978
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571951
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 79916470
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
1-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054396
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-methylpyrazol-4-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83052284
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80546798

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine (CID 63171805) is 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine is CCC(N)C(c1cnn(C)c1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is XRCOWTACQAIIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-15(17)16(13-10-18-19(2)11-13)21-9-6-14(12-21)20-7-4-5-8-20/h10-11,14-16H,3-9,12,17H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine?
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 63171805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).