N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

C16H23N3 — CID 107330516

IUPACN-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(CC(C)C)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-17-15(12-13(2)3)16-10-11-18-19(16)14-8-6-5-7-9-14/h5-11,13,15,17H,4,12H2,1-3H3
InChIKeyNENSLTZWGRPORK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.57
Rot. Bonds6

About N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine

N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 107330516) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
PubChem CID107330516
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(CC(C)C)c1ccnn1-c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-17-15(12-13(2)3)16-10-11-18-19(16)14-8-6-5-7-9-14/h5-11,13,15,17H,4,12H2,1-3H3
InChIKeyNENSLTZWGRPORK-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
N-ethyl-2-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330894
N-[(2-phenylpyrazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 107330507
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
2-methoxy-N-methyl-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330555
N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
CID 107331269
N,3-diethyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105176670
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine (CID 107330516) is N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is CCNC(CC(C)C)c1ccnn1-c1ccccc1.
What is the InChIKey of N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is NENSLTZWGRPORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-15(12-13(2)3)16-10-11-18-19(16)14-8-6-5-7-9-14/h5-11,13,15,17H,4,12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine?
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine has a molecular weight of 257.38 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-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 107330516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).