2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

C16H31N3 — CID 66442365

IUPAC2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CCn1ncc(CNC(C)(C)C)c1C(C)C
InChIInChI=1S/C16H31N3/c1-12(2)8-9-19-15(13(3)4)14(11-18-19)10-17-16(5,6)7/h11-13,17H,8-10H2,1-7H3
InChIKeyRKIKLFTXOOAELV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.94
Rot. Bonds6

About 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66442365) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66442365
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CCn1ncc(CNC(C)(C)C)c1C(C)C
InChIInChI=1S/C16H31N3/c1-12(2)8-9-19-15(13(3)4)14(11-18-19)10-17-16(5,6)7/h11-13,17H,8-10H2,1-7H3
InChIKeyRKIKLFTXOOAELV-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66441609
2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
CID 83169712
N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441353
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
2-methyl-N-[(5-propan-2-yl-1-pyridazin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 103294541
2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172070
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323
N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441213
4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
CID 66437944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (CID 66442365) is 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is CC(C)CCn1ncc(CNC(C)(C)C)c1C(C)C.
What is the InChIKey of 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is RKIKLFTXOOAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12(2)8-9-19-15(13(3)4)14(11-18-19)10-17-16(5,6)7/h11-13,17H,8-10H2,1-7H3.
What are the key properties of 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).