1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine

C13H25N3 — CID 82929915

IUPAC1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(CC)Cn1cc(C(CC)NC)cn1
InChIInChI=1S/C13H25N3/c1-5-11(6-2)9-16-10-12(8-15-16)13(7-3)14-4/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyHCNSSYLAUZEYBX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds7

About 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine

1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 82929915) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID82929915
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(CC)Cn1cc(C(CC)NC)cn1
InChIInChI=1S/C13H25N3/c1-5-11(6-2)9-16-10-12(8-15-16)13(7-3)14-4/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyHCNSSYLAUZEYBX-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 106730571
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 82929915) is 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine is CCC(CC)Cn1cc(C(CC)NC)cn1.
What is the InChIKey of 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is HCNSSYLAUZEYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11(6-2)9-16-10-12(8-15-16)13(7-3)14-4/h8,10-11,13-14H,5-7,9H2,1-4H3.
What are the key properties of 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine?
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 82929915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).