3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol

C11H21N3O — CID 62060513

IUPAC3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1cn[nH]c1C
InChIInChI=1S/C11H21N3O/c1-4-11(15,5-2)8-12-6-10-7-13-14-9(10)3/h7,12,15H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyUKMDYKMENRBGPC-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.36
Rot. Bonds6

About 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol

3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol (PubChem CID 62060513) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol
PubChem CID62060513
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1cn[nH]c1C
InChIInChI=1S/C11H21N3O/c1-4-11(15,5-2)8-12-6-10-7-13-14-9(10)3/h7,12,15H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyUKMDYKMENRBGPC-UHFFFAOYSA-N
XLogP1.36
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol (CID 62060513) is 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1cn[nH]c1C.
What is the InChIKey of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is UKMDYKMENRBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(15,5-2)8-12-6-10-7-13-14-9(10)3/h7,12,15H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol?
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 211.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 62060513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).