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

C16H23N3 — CID 105170634

IUPACN-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1ccn(-c2ccccc2)n1)C(C)CC
InChIInChI=1S/C16H23N3/c1-4-13(3)16(17-5-2)15-11-12-19(18-15)14-9-7-6-8-10-14/h6-13,16-17H,4-5H2,1-3H3
InChIKeyKOFCZYQNFXFUMZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.57
Rot. Bonds6

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

N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 105170634) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
PubChem CID105170634
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
SMILESCCNC(c1ccn(-c2ccccc2)n1)C(C)CC
InChIInChI=1S/C16H23N3/c1-4-13(3)16(17-5-2)15-11-12-19(18-15)14-9-7-6-8-10-14/h6-13,16-17H,4-5H2,1-3H3
InChIKeyKOFCZYQNFXFUMZ-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

N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672
N-ethyl-1-(1-phenylpyrazol-3-yl)hex-4-yn-1-amine
CID 105181624
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 106657298
N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 103135118
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105190345
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine (CID 105170634) is N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine is CCNC(c1ccn(-c2ccccc2)n1)C(C)CC.
What is the InChIKey of N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is KOFCZYQNFXFUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-13(3)16(17-5-2)15-11-12-19(18-15)14-9-7-6-8-10-14/h6-13,16-17H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine?
N-ethyl-2-methyl-1-(1-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-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 105170634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).