N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine

C15H29N3 — CID 66441353

IUPACN-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)n1ncc(CNC(C)(C)C)c1C(C)C
InChIInChI=1S/C15H29N3/c1-8-12(4)18-14(11(2)3)13(10-17-18)9-16-15(5,6)7/h10-12,16H,8-9H2,1-7H3
InChIKeyHDMBYEAAKRXRMU-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.87
Rot. Bonds5

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

N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 66441353) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID66441353
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)n1ncc(CNC(C)(C)C)c1C(C)C
InChIInChI=1S/C15H29N3/c1-8-12(4)18-14(11(2)3)13(10-17-18)9-16-15(5,6)7/h10-12,16H,8-9H2,1-7H3
InChIKeyHDMBYEAAKRXRMU-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66442365
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653
2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66441955
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66441609
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
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82697373
N-[(1-butan-2-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440544
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
CID 66441034
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine (CID 66441353) is N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is CCC(C)n1ncc(CNC(C)(C)C)c1C(C)C.
What is the InChIKey of N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is HDMBYEAAKRXRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-8-12(4)18-14(11(2)3)13(10-17-18)9-16-15(5,6)7/h10-12,16H,8-9H2,1-7H3.
What are the key properties of N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66441353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).