N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine

C12H19N3 — CID 114558274

IUPACN-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
SMILESCCCn1nccc1/C=C/CNC1CC1
InChIInChI=1S/C12H19N3/c1-2-10-15-12(7-9-14-15)4-3-8-13-11-5-6-11/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3/b4-3+
InChIKeyAYWMTMJQNCWRHR-ONEGZZNKSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds6

About N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine

N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine (PubChem CID 114558274) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
PubChem CID114558274
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
SMILESCCCn1nccc1/C=C/CNC1CC1
InChIInChI=1S/C12H19N3/c1-2-10-15-12(7-9-14-15)4-3-8-13-11-5-6-11/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3/b4-3+
InChIKeyAYWMTMJQNCWRHR-ONEGZZNKSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
CID 114558225
5-(4-chlorobut-1-enyl)-1-propylpyrazole
CID 79602926
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
N-[3-(furan-3-yl)prop-2-enyl]cyclopropanamine
CID 79347716
N-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615
N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
CID 83094458
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine (CID 114558274) is N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine is CCCn1nccc1/C=C/CNC1CC1.
What is the InChIKey of N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is AYWMTMJQNCWRHR-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-10-15-12(7-9-14-15)4-3-8-13-11-5-6-11/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3/b4-3+.
What are the key properties of N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine?
N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 114558274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).