2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

C14H27N3 — CID 55082915

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCCn1cc(CC(CNC(C)C)C(C)C)cn1
InChIInChI=1S/C14H27N3/c1-6-17-10-13(8-16-17)7-14(11(2)3)9-15-12(4)5/h8,10-12,14-15H,6-7,9H2,1-5H3
InChIKeyFMBXKQPDNUSFPE-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.72
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 55082915) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID55082915
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCCn1cc(CC(CNC(C)C)C(C)C)cn1
InChIInChI=1S/C14H27N3/c1-6-17-10-13(8-16-17)7-14(11(2)3)9-15-12(4)5/h8,10-12,14-15H,6-7,9H2,1-5H3
InChIKeyFMBXKQPDNUSFPE-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
4-(1-ethylpyrazol-4-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443681
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (CID 55082915) is 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is CCn1cc(CC(CNC(C)C)C(C)C)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is FMBXKQPDNUSFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-17-10-13(8-16-17)7-14(11(2)3)9-15-12(4)5/h8,10-12,14-15H,6-7,9H2,1-5H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55082915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).