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

C12H19N3 — CID 106936896

IUPAC1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
SMILESC=Cn1cc(CNC(C)CC2CC2)cn1
InChIInChI=1S/C12H19N3/c1-3-15-9-12(8-14-15)7-13-10(2)6-11-4-5-11/h3,8-11,13H,1,4-7H2,2H3
InChIKeyNFQHHOGWADMTOD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds6

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

1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 106936896) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID106936896
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
SMILESC=Cn1cc(CNC(C)CC2CC2)cn1
InChIInChI=1S/C12H19N3/c1-3-15-9-12(8-14-15)7-13-10(2)6-11-4-5-11/h3,8-11,13H,1,4-7H2,2H3
InChIKeyNFQHHOGWADMTOD-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
CID 106937227
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204
3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
CID 106937399
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
N-[(1-ethenylpyrazol-4-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 106937397
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106936170
methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
CID 106936687
methyl (2S)-2-[(1-ethenylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 106936086
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine (CID 106936896) is 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine is C=Cn1cc(CNC(C)CC2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is NFQHHOGWADMTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-15-9-12(8-14-15)7-13-10(2)6-11-4-5-11/h3,8-11,13H,1,4-7H2,2H3.
What are the key properties of 1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine?
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 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-ethenylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 106936896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).