2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol

C10H19N3O — CID 81418604

IUPAC2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1cn[nH]c1
InChIInChI=1S/C10H19N3O/c1-3-10(2,8-14)7-11-4-9-5-12-13-6-9/h5-6,11,14H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyDXZZKHACBVGGMG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.91
Rot. Bonds6

About 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol

2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol (PubChem CID 81418604) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
PubChem CID81418604
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1cn[nH]c1
InChIInChI=1S/C10H19N3O/c1-3-10(2,8-14)7-11-4-9-5-12-13-6-9/h5-6,11,14H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyDXZZKHACBVGGMG-UHFFFAOYSA-N
XLogP0.91
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol (CID 81418604) is 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol is CCC(C)(CO)CNCc1cn[nH]c1.
What is the InChIKey of 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
The InChIKey is DXZZKHACBVGGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-10(2,8-14)7-11-4-9-5-12-13-6-9/h5-6,11,14H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 81418604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).