N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C12H17N5 — CID 106936396

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC=Cn1cc(CNC(C)Cn2cccn2)cn1
InChIInChI=1S/C12H17N5/c1-3-16-10-12(8-15-16)7-13-11(2)9-17-6-4-5-14-17/h3-6,8,10-11,13H,1,7,9H2,2H3
InChIKeyMKEGYGLQUKIYMN-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.36
Rot. Bonds6

About N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 106936396) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID106936396
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC=Cn1cc(CNC(C)Cn2cccn2)cn1
InChIInChI=1S/C12H17N5/c1-3-16-10-12(8-15-16)7-13-11(2)9-17-6-4-5-14-17/h3-6,8,10-11,13H,1,7,9H2,2H3
InChIKeyMKEGYGLQUKIYMN-UHFFFAOYSA-N
XLogP1.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
N-[(1-ethenylpyrazol-4-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 106937397
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
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
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
CID 106937399
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 106936396) is N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is C=Cn1cc(CNC(C)Cn2cccn2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is MKEGYGLQUKIYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-16-10-12(8-15-16)7-13-11(2)9-17-6-4-5-14-17/h3-6,8,10-11,13H,1,7,9H2,2H3.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 106936396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).