4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine

C14H16ClN3O — CID 117445254

IUPAC4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(Cl)c(OCC3CC3)c2)c1N
InChIInChI=1S/C14H16ClN3O/c1-18-14(16)11(7-17-18)10-4-5-12(15)13(6-10)19-8-9-2-3-9/h4-7,9H,2-3,8,16H2,1H3
InChIKeyXLWAIEMUHWLQJP-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.11
Rot. Bonds4

About 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine

4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117445254) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
PubChem CID117445254
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(Cl)c(OCC3CC3)c2)c1N
InChIInChI=1S/C14H16ClN3O/c1-18-14(16)11(7-17-18)10-4-5-12(15)13(6-10)19-8-9-2-3-9/h4-7,9H,2-3,8,16H2,1H3
InChIKeyXLWAIEMUHWLQJP-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1H-pyrazol-5-amine
CID 117401936
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117365796
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
CID 117492414

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine (CID 117445254) is 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(Cl)c(OCC3CC3)c2)c1N.
What is the InChIKey of 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is XLWAIEMUHWLQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-14(16)11(7-17-18)10-4-5-12(15)13(6-10)19-8-9-2-3-9/h4-7,9H,2-3,8,16H2,1H3.
What are the key properties of 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine?
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 277.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117445254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).