5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

C13H19ClN4S — CID 66029760

IUPAC5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN4S/c1-4-7-18-13(12(15)9(2)16-18)17(3)8-10-5-6-11(14)19-10/h5-6H,4,7-8,15H2,1-3H3
InChIKeyKMNPYJWHFGHTRN-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.54
Rot. Bonds5

About 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine

5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (PubChem CID 66029760) has the molecular formula C13H19ClN4S and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
PubChem CID66029760
Molecular FormulaC13H19ClN4S
Molecular Weight298.84 g/mol
Exact Mass298.10
IUPAC Name5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN4S/c1-4-7-18-13(12(15)9(2)16-18)17(3)8-10-5-6-11(14)19-10/h5-6H,4,7-8,15H2,1-3H3
InChIKeyKMNPYJWHFGHTRN-UHFFFAOYSA-N
XLogP3.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine 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-N,3-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66027619
5-N,3-dimethyl-5-N-pentyl-1-propylpyrazole-4,5-diamine
CID 66027038
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66028752
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
5-N-ethyl-3-methyl-5-N-(4-methylphenyl)-1-propylpyrazole-4,5-diamine
CID 66029003
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
CID 66028019
5-N-[1-(3-chlorophenyl)ethyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66029205
N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethyl-5-nitroimidazol-4-amine
CID 18095294
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66125318
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methyl-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360767

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine (CID 66029760) is 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
The InChIKey is KMNPYJWHFGHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4S/c1-4-7-18-13(12(15)9(2)16-18)17(3)8-10-5-6-11(14)19-10/h5-6H,4,7-8,15H2,1-3H3.
What are the key properties of 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine?
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine has a molecular weight of 298.84 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-chlorothiophen-2-yl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66029760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).