4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine

C14H16ClN3O2 — CID 117473928

IUPAC4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c15-12-6-9(11-7-17-18-14(11)16)3-4-13(12)20-10-2-1-5-19-8-10/h3-4,6-7,10H,1-2,5,8H2,(H3,16,17,18)
InChIKeyUALXZTNTEGNMHX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.87
Rot. Bonds3

About 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine

4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine (PubChem CID 117473928) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
PubChem CID117473928
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(OC2CCCOC2)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c15-12-6-9(11-7-17-18-14(11)16)3-4-13(12)20-10-2-1-5-19-8-10/h3-4,6-7,10H,1-2,5,8H2,(H3,16,17,18)
InChIKeyUALXZTNTEGNMHX-UHFFFAOYSA-N
XLogP2.87
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-4-(oxetan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117418426
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
1-[3-chloro-4-(oxan-3-yloxy)phenyl]-N-methoxymethanamine
CID 117432335
4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine
CID 117370154
4-[3-bromo-4-(oxolan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117493096
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine (CID 117473928) is 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(OC2CCCOC2)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
The InChIKey is UALXZTNTEGNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-6-9(11-7-17-18-14(11)16)3-4-13(12)20-10-2-1-5-19-8-10/h3-4,6-7,10H,1-2,5,8H2,(H3,16,17,18).
What are the key properties of 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine?
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine has a molecular weight of 293.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117473928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).