1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol

C12H21N3O — CID 79778673

IUPAC1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
SMILESCn1ccc(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-15-9-6-11(14-15)13-10-12(16)7-4-2-3-5-8-12/h6,9,16H,2-5,7-8,10H2,1H3,(H,13,14)
InChIKeyZTDSHCNNKWKCGE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.92
Rot. Bonds3

About 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol

1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 79778673) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
PubChem CID79778673
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
SMILESCn1ccc(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C12H21N3O/c1-15-9-6-11(14-15)13-10-12(16)7-4-2-3-5-8-12/h6,9,16H,2-5,7-8,10H2,1H3,(H,13,14)
InChIKeyZTDSHCNNKWKCGE-UHFFFAOYSA-N
XLogP1.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

1-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]pyrazol-3-amine
CID 103568692
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436760
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
6-[(1-hydroxycyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282645
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
CID 115620433
1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 136524276

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol (CID 79778673) is 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol is Cn1ccc(NCC2(O)CCCCCC2)n1.
What is the InChIKey of 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is ZTDSHCNNKWKCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-6-11(14-15)13-10-12(16)7-4-2-3-5-8-12/h6,9,16H,2-5,7-8,10H2,1H3,(H,13,14).
What are the key properties of 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol?
1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 79778673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).