4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine

C16H20ClN3O — CID 103556801

IUPAC4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine
SMILESCOC1(Cc2nn(C)c(N)c2-c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H20ClN3O/c1-20-15(18)14(11-4-6-12(17)7-5-11)13(19-20)10-16(21-2)8-3-9-16/h4-7H,3,8-10,18H2,1-2H3
InChIKeyGADXELGAGVRKRJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.43
Rot. Bonds4

About 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine

4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 103556801) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine
PubChem CID103556801
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine
SMILESCOC1(Cc2nn(C)c(N)c2-c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H20ClN3O/c1-20-15(18)14(11-4-6-12(17)7-5-11)13(19-20)10-16(21-2)8-3-9-16/h4-7H,3,8-10,18H2,1-2H3
InChIKeyGADXELGAGVRKRJ-UHFFFAOYSA-N
XLogP3.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methoxycyclobutyl)methyl]-2-methyl-4-(2-methylpropyl)pyrazol-3-amine
CID 103556821
4-(4-chlorophenyl)-1-methyl-3-pyridazin-4-ylpyrazol-5-amine
CID 104670653
4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556824
4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556789
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587
4-(4-chlorophenyl)-3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81122906
6-(4-chlorophenyl)-5-(methoxymethyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17190673
1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 43336708
3-(5-bromofuran-2-yl)-4-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43336443
4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
CID 43336534
5-[5-amino-4-(4-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710576
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine (CID 103556801) is 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine is COC1(Cc2nn(C)c(N)c2-c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is GADXELGAGVRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-20-15(18)14(11-4-6-12(17)7-5-11)13(19-20)10-16(21-2)8-3-9-16/h4-7H,3,8-10,18H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine?
4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 305.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 103556801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).