2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine

C18H25N3 — CID 115592625

IUPAC2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1CNCC(C)C1CC1
InChIInChI=1S/C18H25N3/c1-13(16-9-10-16)11-19-12-18-14(2)20-21(15(18)3)17-7-5-4-6-8-17/h4-8,13,16,19H,9-12H2,1-3H3
InChIKeyAKCCFKJHMMBQEA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.62
Rot. Bonds6

About 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine

2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115592625) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115592625
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1CNCC(C)C1CC1
InChIInChI=1S/C18H25N3/c1-13(16-9-10-16)11-19-12-18-14(2)20-21(15(18)3)17-7-5-4-6-8-17/h4-8,13,16,19H,9-12H2,1-3H3
InChIKeyAKCCFKJHMMBQEA-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
(1S)-N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 9453083
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
1-(1-benzothiophen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 112806117
2-amino-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120784550
1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 154741292

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine (CID 115592625) is 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine is Cc1nn(-c2ccccc2)c(C)c1CNCC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is AKCCFKJHMMBQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(16-9-10-16)11-19-12-18-14(2)20-21(15(18)3)17-7-5-4-6-8-17/h4-8,13,16,19H,9-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine?
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115592625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).