N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine

C12H19N3 — CID 114477117

IUPACN-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESC=C(C)CCn1cc(CNC2CC2)cn1
InChIInChI=1S/C12H19N3/c1-10(2)5-6-15-9-11(8-14-15)7-13-12-3-4-12/h8-9,12-13H,1,3-7H2,2H3
InChIKeyUTEGDLVLFFJSKF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds6

About N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 114477117) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID114477117
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESC=C(C)CCn1cc(CNC2CC2)cn1
InChIInChI=1S/C12H19N3/c1-10(2)5-6-15-9-11(8-14-15)7-13-12-3-4-12/h8-9,12-13H,1,3-7H2,2H3
InChIKeyUTEGDLVLFFJSKF-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]ethanamine
CID 114477113
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 64829987
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 114477117) is N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine is C=C(C)CCn1cc(CNC2CC2)cn1.
What is the InChIKey of N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is UTEGDLVLFFJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)5-6-15-9-11(8-14-15)7-13-12-3-4-12/h8-9,12-13H,1,3-7H2,2H3.
What are the key properties of N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114477117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).