N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

C17H19ClN4S — CID 46989849

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESCc1nn(C)c(Cl)c1CN(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C17H19ClN4S/c1-13-16(17(18)21(2)20-13)11-22(10-15-5-7-23-12-15)9-14-4-3-6-19-8-14/h3-8,12H,9-11H2,1-2H3
InChIKeyZELSQGJHFXPDPU-UHFFFAOYSA-N
MW346.89 g/mol
LogP4.04
Rot. Bonds6

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 46989849) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID46989849
Molecular FormulaC17H19ClN4S
Molecular Weight346.89 g/mol
Exact Mass346.10
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESCc1nn(C)c(Cl)c1CN(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C17H19ClN4S/c1-13-16(17(18)21(2)20-13)11-22(10-15-5-7-23-12-15)9-14-4-3-6-19-8-14/h3-8,12H,9-11H2,1-2H3
InChIKeyZELSQGJHFXPDPU-UHFFFAOYSA-N
XLogP4.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
5-(2,5-dichloro-3-thienyl)-1-(4-methylphenyl)-1H-pyrazole
CID 1488800
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
CID 25806234
1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46982724
1-[(5-Chlorothiophen-2-yl)methyl]-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]piperazine
CID 53546121
N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
CID 56822816
2-[2-[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 72140969
5-Chloro-6-[(4-pentyltriazol-1-yl)methyl]-2-thiophen-2-yl-7,8-dihydroquinoline
CID 155559592
3-Chloro-4-[[1-isopropyl-3-methyl-5-(m-tolylsulfanyl)pyrazol-4-yl]methyl]pyridine
CID 10177263
4-[[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-3-methyl-pyrazol-4-yl]methylsulfanyl]pyridine
CID 10180689
2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine
CID 56598661
6-(3-Chlorothiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
CID 155388703

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (CID 46989849) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is Cc1nn(C)c(Cl)c1CN(Cc1cccnc1)Cc1ccsc1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is ZELSQGJHFXPDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4S/c1-13-16(17(18)21(2)20-13)11-22(10-15-5-7-23-12-15)9-14-4-3-6-19-8-14/h3-8,12H,9-11H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 346.89 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 46989849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).