1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C11H17N5O — CID 82881683

IUPAC1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCn1ccc(CNCC(O)Cn2cccn2)n1
InChIInChI=1S/C11H17N5O/c1-15-6-3-10(14-15)7-12-8-11(17)9-16-5-2-4-13-16/h2-6,11-12,17H,7-9H2,1H3
InChIKeyNSDCTRBLUHOWQC-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.23
Rot. Bonds6

About 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 82881683) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID82881683
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCn1ccc(CNCC(O)Cn2cccn2)n1
InChIInChI=1S/C11H17N5O/c1-15-6-3-10(14-15)7-12-8-11(17)9-16-5-2-4-13-16/h2-6,11-12,17H,7-9H2,1H3
InChIKeyNSDCTRBLUHOWQC-UHFFFAOYSA-N
XLogP-0.23
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
CID 103261820
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 82881683) is 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is Cn1ccc(CNCC(O)Cn2cccn2)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is NSDCTRBLUHOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15-6-3-10(14-15)7-12-8-11(17)9-16-5-2-4-13-16/h2-6,11-12,17H,7-9H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 235.29 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 82881683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).