[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol

C9H15N3O — CID 82876865

IUPAC[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
SMILESCn1ccc(CN2CC(CO)C2)n1
InChIInChI=1S/C9H15N3O/c1-11-3-2-9(10-11)6-12-4-8(5-12)7-13/h2-3,8,13H,4-7H2,1H3
InChIKeyOROCQWKPPTWLOV-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.16
Rot. Bonds3

About [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol

[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol (PubChem CID 82876865) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
PubChem CID82876865
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
SMILESCn1ccc(CN2CC(CO)C2)n1
InChIInChI=1S/C9H15N3O/c1-11-3-2-9(10-11)6-12-4-8(5-12)7-13/h2-3,8,13H,4-7H2,1H3
InChIKeyOROCQWKPPTWLOV-UHFFFAOYSA-N
XLogP-0.16
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 102935937
3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82870499
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
[5-methyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 82877604
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol?
The IUPAC name of [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol (CID 82876865) is [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol is Cn1ccc(CN2CC(CO)C2)n1.
What is the InChIKey of [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol?
The InChIKey is OROCQWKPPTWLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-11-3-2-9(10-11)6-12-4-8(5-12)7-13/h2-3,8,13H,4-7H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol?
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol is sourced from PubChem (CID 82876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).