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

C13H14ClN5 — CID 119026326

IUPAC1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5/c14-9-2-4-10(5-3-9)19-12(15)11(8-18-19)13-16-6-1-7-17-13/h2-5,8H,1,6-7,15H2,(H,16,17)
InChIKeyQPQPENLTZREDSY-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.85
Rot. Bonds2

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

1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (PubChem CID 119026326) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
PubChem CID119026326
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5/c14-9-2-4-10(5-3-9)19-12(15)11(8-18-19)13-16-6-1-7-17-13/h2-5,8H,1,6-7,15H2,(H,16,17)
InChIKeyQPQPENLTZREDSY-UHFFFAOYSA-N
XLogP1.85
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135408736
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
CID 173645
5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile
CID 79256
3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
5-(5-amino-1-phenyl-1H-pyrazol-4-yl)-4-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 2813626
4-(3-Chlorophenyl)-2-phenylpyrazol-3-amine
CID 3569800

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (CID 119026326) is 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is Nc1c(C2=NCCCN2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The InChIKey is QPQPENLTZREDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-9-2-4-10(5-3-9)19-12(15)11(8-18-19)13-16-6-1-7-17-13/h2-5,8H,1,6-7,15H2,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine has a molecular weight of 275.74 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 119026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).