1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

C12H21N3 — CID 115769846

IUPAC1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCCC(NCc1cnn(C)c1)C1CC1
InChIInChI=1S/C12H21N3/c1-3-4-12(11-5-6-11)13-7-10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3
InChIKeyXUCARICVBDCNJB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds6

About 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 115769846) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID115769846
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCCC(NCc1cnn(C)c1)C1CC1
InChIInChI=1S/C12H21N3/c1-3-4-12(11-5-6-11)13-7-10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3
InChIKeyXUCARICVBDCNJB-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 64920356
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
CID 107234285
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (CID 115769846) is 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is CCCC(NCc1cnn(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is XUCARICVBDCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-12(11-5-6-11)13-7-10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 115769846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).