1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

C18H25N3 — CID 103743443

IUPAC1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C18H25N3/c1-15(2)18(8-9-18)14-19-10-17-11-20-21(13-17)12-16-6-4-3-5-7-16/h3-7,11,13,15,19H,8-10,12,14H2,1-2H3
InChIKeyVPCVJUFMVVSSRA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.46
Rot. Bonds7

About 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine

1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (PubChem CID 103743443) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
PubChem CID103743443
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
SMILESCC(C)C1(CNCc2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C18H25N3/c1-15(2)18(8-9-18)14-19-10-17-11-20-21(13-17)12-16-6-4-3-5-7-16/h3-7,11,13,15,19H,8-10,12,14H2,1-2H3
InChIKeyVPCVJUFMVVSSRA-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1-benzylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63933915
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[(1-benzylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43392652
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81391965
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine (CID 103743443) is 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is CC(C)C1(CNCc2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
The InChIKey is VPCVJUFMVVSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-15(2)18(8-9-18)14-19-10-17-11-20-21(13-17)12-16-6-4-3-5-7-16/h3-7,11,13,15,19H,8-10,12,14H2,1-2H3.
What are the key properties of 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine?
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103743443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).