1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine

C14H17N5S — CID 43768889

IUPAC1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C14H17N5S/c1-9-13(10(2)19(3)18-9)15-7-11-8-16-17-14(11)12-5-4-6-20-12/h4-6,8,15H,7H2,1-3H3,(H,16,17)
InChIKeyTVOORIKFCNDHRB-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.10
Rot. Bonds4

About 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine

1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 43768889) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine
PubChem CID43768889
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C14H17N5S/c1-9-13(10(2)19(3)18-9)15-7-11-8-16-17-14(11)12-5-4-6-20-12/h4-6,8,15H,7H2,1-3H3,(H,16,17)
InChIKeyTVOORIKFCNDHRB-UHFFFAOYSA-N
XLogP3.10
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine with MolForge

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Related Compounds

1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 54921126
2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 79041980
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
2,6-dichloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 83078504
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
4-bromo-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43758839
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43764924
3,3-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 47185945
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43757837
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140
2-(methoxymethyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43779830
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine (CID 43768889) is 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(C)c(C)c1NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is TVOORIKFCNDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-13(10(2)19(3)18-9)15-7-11-8-16-17-14(11)12-5-4-6-20-12/h4-6,8,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine?
1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43768889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).