2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol

C14H27N3O — CID 61247444

IUPAC2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C14H27N3O/c1-11(2)6-13(10-18)15-7-12-8-16-17(9-12)14(3,4)5/h8-9,11,13,15,18H,6-7,10H2,1-5H3
InChIKeyAJWFPNIOTOWBIL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.13
Rot. Bonds6

About 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol

2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 61247444) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
PubChem CID61247444
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C14H27N3O/c1-11(2)6-13(10-18)15-7-12-8-16-17(9-12)14(3,4)5/h8-9,11,13,15,18H,6-7,10H2,1-5H3
InChIKeyAJWFPNIOTOWBIL-UHFFFAOYSA-N
XLogP2.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43769272
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
N-[(1-tert-butylpyrazol-4-yl)methyl]hex-5-yn-3-amine
CID 115654889
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
2-[(1-tert-butylpyrazol-4-yl)methylamino]-N-ethylpropanamide
CID 43778264
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
N-[(1-tert-butylpyrazol-4-yl)methyl]heptan-2-amine
CID 43778077
N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634219

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol (CID 61247444) is 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NCc1cnn(C(C)(C)C)c1.
What is the InChIKey of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is AJWFPNIOTOWBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)6-13(10-18)15-7-12-8-16-17(9-12)14(3,4)5/h8-9,11,13,15,18H,6-7,10H2,1-5H3.
What are the key properties of 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol?
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61247444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).