3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine

C14H26N4 — CID 64799407

IUPAC3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine
SMILESCC(C)n1ccc(CN2CCCC2CCCN)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-10-7-13(16-18)11-17-9-4-6-14(17)5-3-8-15/h7,10,12,14H,3-6,8-9,11,15H2,1-2H3
InChIKeyMPGCUJRRJHUNAO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds6

About 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine

3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine (PubChem CID 64799407) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine
PubChem CID64799407
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine
SMILESCC(C)n1ccc(CN2CCCC2CCCN)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-10-7-13(16-18)11-17-9-4-6-14(17)5-3-8-15/h7,10,12,14H,3-6,8-9,11,15H2,1-2H3
InChIKeyMPGCUJRRJHUNAO-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 64772222
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129448969
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 64784361
1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 64800553
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]-1-propan-2-ylpyrazole
CID 102784910
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
2-(chloromethyl)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane
CID 116638656

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine (CID 64799407) is 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine is CC(C)n1ccc(CN2CCCC2CCCN)n1.
What is the InChIKey of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine?
The InChIKey is MPGCUJRRJHUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)18-10-7-13(16-18)11-17-9-4-6-14(17)5-3-8-15/h7,10,12,14H,3-6,8-9,11,15H2,1-2H3.
What are the key properties of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine?
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 64799407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).