N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

C18H25N3 — CID 105188964

IUPACN-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1C)C1CC1c1ccccc1
InChIInChI=1S/C18H25N3/c1-4-10-19-18(17-12-20-21(3)13(17)2)16-11-15(16)14-8-6-5-7-9-14/h5-9,12,15-16,18-19H,4,10-11H2,1-3H3
InChIKeyFTDRGFOQDMVELQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.57
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (PubChem CID 105188964) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
PubChem CID105188964
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1C)C1CC1c1ccccc1
InChIInChI=1S/C18H25N3/c1-4-10-19-18(17-12-20-21(3)13(17)2)16-11-15(16)14-8-6-5-7-9-14/h5-9,12,15-16,18-19H,4,10-11H2,1-3H3
InChIKeyFTDRGFOQDMVELQ-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
N-[(2-chlorophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517442
N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004
N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105154418
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine (CID 105188964) is N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1C)C1CC1c1ccccc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
The InChIKey is FTDRGFOQDMVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-10-19-18(17-12-20-21(3)13(17)2)16-11-15(16)14-8-6-5-7-9-14/h5-9,12,15-16,18-19H,4,10-11H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 105188964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).