2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine

C12H21N3 — CID 115816197

IUPAC2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCCn1cc(C(NC)C(C)C2CC2)cn1
InChIInChI=1S/C12H21N3/c1-4-15-8-11(7-14-15)12(13-3)9(2)10-5-6-10/h7-10,12-13H,4-6H2,1-3H3
InChIKeyRCWUUDXMLZQMEK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds5

About 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine

2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine (PubChem CID 115816197) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
PubChem CID115816197
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine
SMILESCCn1cc(C(NC)C(C)C2CC2)cn1
InChIInChI=1S/C12H21N3/c1-4-15-8-11(7-14-15)12(13-3)9(2)10-5-6-10/h7-10,12-13H,4-6H2,1-3H3
InChIKeyRCWUUDXMLZQMEK-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
1-(1-ethylpyrazol-4-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719917
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
2-cyclopropyl-1-(2-ethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 115858181
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine (CID 115816197) is 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine is CCn1cc(C(NC)C(C)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine?
The InChIKey is RCWUUDXMLZQMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15-8-11(7-14-15)12(13-3)9(2)10-5-6-10/h7-10,12-13H,4-6H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine?
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 115816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).