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

C12H21N3O — CID 63301961

IUPAC2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
SMILESCn1nccc1CNC1CCCCCC1O
InChIInChI=1S/C12H21N3O/c1-15-10(7-8-14-15)9-13-11-5-3-2-4-6-12(11)16/h7-8,11-13,16H,2-6,9H2,1H3
InChIKeyGMYNXAZBPWWLTO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds3

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

2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol (PubChem CID 63301961) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
PubChem CID63301961
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
SMILESCn1nccc1CNC1CCCCCC1O
InChIInChI=1S/C12H21N3O/c1-15-10(7-8-14-15)9-13-11-5-3-2-4-6-12(11)16/h7-8,11-13,16H,2-6,9H2,1H3
InChIKeyGMYNXAZBPWWLTO-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43663217
2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol
CID 115682675
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol (CID 63301961) is 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol is Cn1nccc1CNC1CCCCCC1O.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol?
The InChIKey is GMYNXAZBPWWLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-10(7-8-14-15)9-13-11-5-3-2-4-6-12(11)16/h7-8,11-13,16H,2-6,9H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol?
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 63301961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).