3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol

C11H22N4O — CID 104840370

IUPAC3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol
SMILESCCC(N)C(CO)N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H22N4O/c1-4-10(12)11(8-16)14(2)6-9-5-13-15(3)7-9/h5,7,10-11,16H,4,6,8,12H2,1-3H3
InChIKeyHPXRLJWPYVWLLY-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.05
Rot. Bonds6

About 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol

3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol (PubChem CID 104840370) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol
PubChem CID104840370
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol
SMILESCCC(N)C(CO)N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H22N4O/c1-4-10(12)11(8-16)14(2)6-9-5-13-15(3)7-9/h5,7,10-11,16H,4,6,8,12H2,1-3H3
InChIKeyHPXRLJWPYVWLLY-UHFFFAOYSA-N
XLogP-0.05
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
1-N,3-N-dimethyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62461210
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 62461742
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]heptane-1,2-diamine
CID 61438547
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 55072634
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]nonane-1,2-diamine
CID 61438500
1-N-ethyl-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]butane-1,3-diamine
CID 62463522

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol?
The IUPAC name of 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol (CID 104840370) is 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol is CCC(N)C(CO)N(C)Cc1cnn(C)c1.
What is the InChIKey of 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol?
The InChIKey is HPXRLJWPYVWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-10(12)11(8-16)14(2)6-9-5-13-15(3)7-9/h5,7,10-11,16H,4,6,8,12H2,1-3H3.
What are the key properties of 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol?
3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol has a molecular weight of 226.32 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 104840370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).