1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C12H21N3 — CID 115622994

IUPAC1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C(C)C)c1)C1CC1
InChIInChI=1S/C12H21N3/c1-9(2)15-8-11(7-14-15)6-13-10(3)12-4-5-12/h7-10,12-13H,4-6H2,1-3H3
InChIKeyGIPUXRIKIGPZQI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine

1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115622994) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID115622994
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C(C)C)c1)C1CC1
InChIInChI=1S/C12H21N3/c1-9(2)15-8-11(7-14-15)6-13-10(3)12-4-5-12/h7-10,12-13H,4-6H2,1-3H3
InChIKeyGIPUXRIKIGPZQI-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691236
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 115623028
N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 103707752
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 103700974
4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
CID 113243466

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 115622994) is 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine is CC(NCc1cnn(C(C)C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GIPUXRIKIGPZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-8-11(7-14-15)6-13-10(3)12-4-5-12/h7-10,12-13H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115622994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).