4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

C15H17Cl2N3O — CID 103556824

IUPAC4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
SMILESCOC1(Cc2[nH]nc(N)c2-c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H17Cl2N3O/c1-21-15(5-2-6-15)8-12-13(14(18)20-19-12)9-3-4-10(16)11(17)7-9/h3-4,7H,2,5-6,8H2,1H3,(H3,18,19,20)
InChIKeyNHTCENUADOJNEL-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.08
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine (PubChem CID 103556824) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
PubChem CID103556824
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
SMILESCOC1(Cc2[nH]nc(N)c2-c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H17Cl2N3O/c1-21-15(5-2-6-15)8-12-13(14(18)20-19-12)9-3-4-10(16)11(17)7-9/h3-4,7H,2,5-6,8H2,1H3,(H3,18,19,20)
InChIKeyNHTCENUADOJNEL-UHFFFAOYSA-N
XLogP4.08
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556789
4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556830
5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63525732
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587
4-(3,4-dichlorophenyl)-5-(2-methylcyclopentyl)-1H-pyrazol-3-amine
CID 107179224
4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine
CID 103556801
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
CID 103163943
4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-amine
CID 104785975
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103557135

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine (CID 103556824) is 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine is COC1(Cc2[nH]nc(N)c2-c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is NHTCENUADOJNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-21-15(5-2-6-15)8-12-13(14(18)20-19-12)9-3-4-10(16)11(17)7-9/h3-4,7H,2,5-6,8H2,1H3,(H3,18,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 326.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 103556824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).