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

C12H21N3 — CID 115622207

IUPAC2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCn1cc(CNCC(C)C2CC2)cn1
InChIInChI=1S/C12H21N3/c1-3-15-9-11(8-14-15)7-13-6-10(2)12-4-5-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyDWRMSIAGQFDINW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds6

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

2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115622207) 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-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115622207
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCn1cc(CNCC(C)C2CC2)cn1
InChIInChI=1S/C12H21N3/c1-3-15-9-11(8-14-15)7-13-6-10(2)12-4-5-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyDWRMSIAGQFDINW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731572
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62126512
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine (CID 115622207) is 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine is CCn1cc(CNCC(C)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is DWRMSIAGQFDINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15-9-11(8-14-15)7-13-6-10(2)12-4-5-12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine?
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 6 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-1-amine is sourced from PubChem (CID 115622207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).