4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol

C15H29N3O — CID 75441181

IUPAC4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)c1nn(C)cc1CNCC(C)(C)CCCO
InChIInChI=1S/C15H29N3O/c1-12(2)14-13(10-18(5)17-14)9-16-11-15(3,4)7-6-8-19/h10,12,16,19H,6-9,11H2,1-5H3
InChIKeyVZXXSFTVYYSJNQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.43
Rot. Bonds8

About 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol

4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 75441181) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID75441181
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)c1nn(C)cc1CNCC(C)(C)CCCO
InChIInChI=1S/C15H29N3O/c1-12(2)14-13(10-18(5)17-14)9-16-11-15(3,4)7-6-8-19/h10,12,16,19H,6-9,11H2,1-5H3
InChIKeyVZXXSFTVYYSJNQ-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 43758950
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
2,2-dimethyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanenitrile
CID 104587141
3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111470664
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
2-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702126
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol (CID 75441181) is 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol is CC(C)c1nn(C)cc1CNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is VZXXSFTVYYSJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)14-13(10-18(5)17-14)9-16-11-15(3,4)7-6-8-19/h10,12,16,19H,6-9,11H2,1-5H3.
What are the key properties of 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol?
4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 75441181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).