N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

C18H22ClN5 — CID 1441103

IUPACN-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCCN(C)C)c1C
InChIInChI=1S/C18H22ClN5/c1-12-13(2)21-17-11-16(14-5-7-15(19)8-6-14)22-24(17)18(12)20-9-10-23(3)4/h5-8,11,20H,9-10H2,1-4H3
InChIKeyGTCJGLXECMCTOG-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 1441103) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID1441103
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC NameN-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCCN(C)C)c1C
InChIInChI=1S/C18H22ClN5/c1-12-13(2)21-17-11-16(14-5-7-15(19)8-6-14)22-24(17)18(12)20-9-10-23(3)4/h5-8,11,20H,9-10H2,1-4H3
InChIKeyGTCJGLXECMCTOG-UHFFFAOYSA-N
XLogP3.64
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
2-[2-(4-chlorophenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 44197009
6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10618696
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 1441103) is N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCCN(C)C)c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GTCJGLXECMCTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5/c1-12-13(2)21-17-11-16(14-5-7-15(19)8-6-14)22-24(17)18(12)20-9-10-23(3)4/h5-8,11,20H,9-10H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 343.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 1441103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).