N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine

C15H21N3 — CID 66440844

IUPACN-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCc1c(CNCC)cnn1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-8-15-13(11-16-4-2)12-17-18(15)14-9-6-5-7-10-14/h5-7,9-10,12,16H,3-4,8,11H2,1-2H3
InChIKeyAZKQKKFJCICZEP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds6

About N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine

N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 66440844) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID66440844
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCc1c(CNCC)cnn1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-8-15-13(11-16-4-2)12-17-18(15)14-9-6-5-7-10-14/h5-7,9-10,12,16H,3-4,8,11H2,1-2H3
InChIKeyAZKQKKFJCICZEP-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol
CID 10613604
N-[[1-(4-chloro-3-fluorophenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 79132548
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442277
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
CID 66437018
(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol
CID 70328749
N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441179
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440578
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine (CID 66440844) is N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine is CCCc1c(CNCC)cnn1-c1ccccc1.
What is the InChIKey of N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is AZKQKKFJCICZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-8-15-13(11-16-4-2)12-17-18(15)14-9-6-5-7-10-14/h5-7,9-10,12,16H,3-4,8,11H2,1-2H3.
What are the key properties of N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine?
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66440844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).