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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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).