1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol

C14H27N5O — CID 63233045

IUPAC1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
SMILESCN1CCC(CN(C)CC(O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C14H27N5O/c1-17-5-3-12(4-6-17)8-18(2)10-14(20)11-19-9-13(15)7-16-19/h7,9,12,14,20H,3-6,8,10-11,15H2,1-2H3
InChIKeyNBRVDPVVCSMOPR-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.10
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol (PubChem CID 63233045) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
PubChem CID63233045
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
SMILESCN1CCC(CN(C)CC(O)Cn2cc(N)cn2)CC1
InChIInChI=1S/C14H27N5O/c1-17-5-3-12(4-6-17)8-18(2)10-14(20)11-19-9-13(15)7-16-19/h7,9,12,14,20H,3-6,8,10-11,15H2,1-2H3
InChIKeyNBRVDPVVCSMOPR-UHFFFAOYSA-N
XLogP0.10
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111488240
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylacetamide
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CID 65483698
1-(4-aminopyrazol-1-yl)-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63982844
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
CID 55007027
1-(4-aminopyrazol-1-yl)-3-[(2-chlorophenyl)methyl-methylamino]propan-2-ol
CID 61416751
1-(4-aminopyrazol-1-yl)-3-(3-ethylpiperidin-1-yl)propan-2-ol
CID 43584180
(2S)-1-(4-aminopyrazol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
CID 51864183
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
1-(4-aminopyrazol-1-yl)-3-(4-methylazepan-1-yl)propan-2-ol
CID 63623491

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol (CID 63233045) is 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol is CN1CCC(CN(C)CC(O)Cn2cc(N)cn2)CC1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol?
The InChIKey is NBRVDPVVCSMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-17-5-3-12(4-6-17)8-18(2)10-14(20)11-19-9-13(15)7-16-19/h7,9,12,14,20H,3-6,8,10-11,15H2,1-2H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 63233045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).