N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine

C15H19N3 — CID 115635172

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C15H19N3/c1-15(7-8-15)16-9-14-10-17-18(12-14)11-13-5-3-2-4-6-13/h2-6,10,12,16H,7-9,11H2,1H3
InChIKeyGBCWHWSMCNLIFK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.57
Rot. Bonds5

About N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine

N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 115635172) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
PubChem CID115635172
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C15H19N3/c1-15(7-8-15)16-9-14-10-17-18(12-14)11-13-5-3-2-4-6-13/h2-6,10,12,16H,7-9,11H2,1H3
InChIKeyGBCWHWSMCNLIFK-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353122
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64830027
N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine (CID 115635172) is N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine is CC1(NCc2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is GBCWHWSMCNLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(7-8-15)16-9-14-10-17-18(12-14)11-13-5-3-2-4-6-13/h2-6,10,12,16H,7-9,11H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115635172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).