N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine

C14H25N3 — CID 66442564

IUPACN-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(C(C)C2CC2)c1CC
InChIInChI=1S/C14H25N3/c1-4-8-15-9-13-10-16-17(14(13)5-2)11(3)12-6-7-12/h10-12,15H,4-9H2,1-3H3
InChIKeyQTLJSXRNWXKUHF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.92
Rot. Bonds7

About N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine

N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66442564) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
PubChem CID66442564
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(C(C)C2CC2)c1CC
InChIInChI=1S/C14H25N3/c1-4-8-15-9-13-10-16-17(14(13)5-2)11(3)12-6-7-12/h10-12,15H,4-9H2,1-3H3
InChIKeyQTLJSXRNWXKUHF-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441961
N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440552
N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-1-amine
CID 66440753
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
1-(1-cyclopropylethyl)-5-propylpyrazol-4-amine
CID 66441435
1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440958
N-[[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439994
N-[[1-(3-chloro-4-methylphenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66441050
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441544
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441610

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine (CID 66442564) is N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(C(C)C2CC2)c1CC.
What is the InChIKey of N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is QTLJSXRNWXKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-8-15-9-13-10-16-17(14(13)5-2)11(3)12-6-7-12/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66442564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).