1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine

C12H11Cl2N5 — CID 57398579

IUPAC1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCN2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N5/c13-9-2-1-7(5-10(9)14)19-11(15)8(6-18-19)12-16-3-4-17-12/h1-2,5-6H,3-4,15H2,(H,16,17)
InChIKeyPYXGZMHPKCFOKS-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.11
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine

1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine (PubChem CID 57398579) has the molecular formula C12H11Cl2N5 and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
PubChem CID57398579
Molecular FormulaC12H11Cl2N5
Molecular Weight296.16 g/mol
Exact Mass295.04
IUPAC Name1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCN2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N5/c13-9-2-1-7(5-10(9)14)19-11(15)8(6-18-19)12-16-3-4-17-12/h1-2,5-6H,3-4,15H2,(H,16,17)
InChIKeyPYXGZMHPKCFOKS-UHFFFAOYSA-N
XLogP2.11
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-pyrazol-3-amine
CID 24743568
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
7-Chloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759106
7-Chloro-2-cyclopentyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759108
7-Chloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759114
6,7-Dichloro-2-ethyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026488
6,7-Dichloro-2-methyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759096
7-Chloro-2-isobutyl-10-(4-methyl-piperazin-1-yl)-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 135759098
1-(2-Cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 2103145
1-(3,5-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
CID 56643423

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine (CID 57398579) is 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine is Nc1c(C2=NCCN2)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The InChIKey is PYXGZMHPKCFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5/c13-9-2-1-7(5-10(9)14)19-11(15)8(6-18-19)12-16-3-4-17-12/h1-2,5-6H,3-4,15H2,(H,16,17).
What are the key properties of 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine has a molecular weight of 296.16 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 57398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).