1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine

C13H13Cl2N5 — CID 155527570

IUPAC1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N5/c14-10-3-2-8(6-11(10)15)20-12(16)9(7-19-20)13-17-4-1-5-18-13/h2-3,6-7H,1,4-5,16H2,(H,17,18)
InChIKeyMPRVNXNAQWTTEN-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.50
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine

1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (PubChem CID 155527570) has the molecular formula C13H13Cl2N5 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
PubChem CID155527570
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N5/c14-10-3-2-8(6-11(10)15)20-12(16)9(7-19-20)13-17-4-1-5-18-13/h2-3,6-7H,1,4-5,16H2,(H,17,18)
InChIKeyMPRVNXNAQWTTEN-UHFFFAOYSA-N
XLogP2.50
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.50
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-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
CID 173645
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
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (CID 155527570) is 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is Nc1c(C2=NCCCN2)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The InChIKey is MPRVNXNAQWTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c14-10-3-2-8(6-11(10)15)20-12(16)9(7-19-20)13-17-4-1-5-18-13/h2-3,6-7H,1,4-5,16H2,(H,17,18).
What are the key properties of 1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
1-(3,4-dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine has a molecular weight of 310.19 g/mol, XLogP of 2.50, 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-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 155527570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).