(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine

C10H16ClN3O — CID 114654805

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)C1CCOCC1
InChIInChI=1S/C10H16ClN3O/c1-14-10(8(11)6-13-14)9(12)7-2-4-15-5-3-7/h6-7,9H,2-5,12H2,1H3
InChIKeyPKQAQXOJVQWUNH-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.50
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine

(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine (PubChem CID 114654805) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
PubChem CID114654805
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)C1CCOCC1
InChIInChI=1S/C10H16ClN3O/c1-14-10(8(11)6-13-14)9(12)7-2-4-15-5-3-7/h6-7,9H,2-5,12H2,1H3
InChIKeyPKQAQXOJVQWUNH-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
(4-chloro-1-methylpyrazol-5-yl)-(1,4-oxathian-2-yl)methanamine
CID 114658085
2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114660323
2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
CID 83831706
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
(4-chloro-1-methylpyrazol-5-yl)-(1,4-dithian-2-yl)methanamine
CID 114658031
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
N-[(4-chloro-1-propylpyrazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 114654894
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667700

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine (CID 114654805) is (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine is Cn1ncc(Cl)c1C(N)C1CCOCC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine?
The InChIKey is PKQAQXOJVQWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-14-10(8(11)6-13-14)9(12)7-2-4-15-5-3-7/h6-7,9H,2-5,12H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine?
(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine has a molecular weight of 229.71 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 114654805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).