2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine

C12H21N3 — CID 103700228

IUPAC2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCn1cc(CNC(C)(C)C2CC2)cn1
InChIInChI=1S/C12H21N3/c1-4-15-9-10(8-14-15)7-13-12(2,3)11-5-6-11/h8-9,11,13H,4-7H2,1-3H3
InChIKeySQAXWNFWAWXHGM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds5

About 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine

2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 103700228) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID103700228
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCn1cc(CNC(C)(C)C2CC2)cn1
InChIInChI=1S/C12H21N3/c1-4-15-9-10(8-14-15)7-13-12(2,3)11-5-6-11/h8-9,11,13H,4-7H2,1-3H3
InChIKeySQAXWNFWAWXHGM-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
2-[(1-ethylpyrazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789662
1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 65401293
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
3-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 104666922
2-ethyl-2-[(1-ethylpyrazol-4-yl)methylamino]butanoic acid
CID 79804266
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
1-cyclopentyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122166829
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 81014852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine (CID 103700228) is 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine is CCn1cc(CNC(C)(C)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is SQAXWNFWAWXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15-9-10(8-14-15)7-13-12(2,3)11-5-6-11/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine?
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 103700228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).