4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine

C15H18ClN3O — CID 107001706

IUPAC4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CC1(C)C
InChIInChI=1S/C15H18ClN3O/c1-15(2)7-10(15)13-12(14(17)19-18-13)9-6-8(16)4-5-11(9)20-3/h4-6,10H,7H2,1-3H3,(H3,17,18,19)
InChIKeyLKEKGYUTUSFKDL-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.83
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine

4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (PubChem CID 107001706) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
PubChem CID107001706
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CC1(C)C
InChIInChI=1S/C15H18ClN3O/c1-15(2)7-10(15)13-12(14(17)19-18-13)9-6-8(16)4-5-11(9)20-3/h4-6,10H,7H2,1-3H3,(H3,17,18,19)
InChIKeyLKEKGYUTUSFKDL-UHFFFAOYSA-N
XLogP3.83
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63013480
5-(3-bromothiophen-2-yl)-4-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 63798640
4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79691857
3-amino-6-(5-chloro-2-methoxyphenyl)-1H-pyridin-2-one
CID 82467202
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166430668
4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001708
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001711
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine (CID 107001706) is 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is COc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CC1(C)C.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
The InChIKey is LKEKGYUTUSFKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(2)7-10(15)13-12(14(17)19-18-13)9-6-8(16)4-5-11(9)20-3/h4-6,10H,7H2,1-3H3,(H3,17,18,19).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine?
4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine has a molecular weight of 291.78 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107001706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).