4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C16H26N4S — CID 63060030

IUPAC4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cccs2)c1CNC(C)(C)C
InChIInChI=1S/C16H26N4S/c1-12-14(10-17-16(2,3)4)15(20(6)18-12)19(5)11-13-8-7-9-21-13/h7-9,17H,10-11H2,1-6H3
InChIKeyJSPNTDHUGZAEOI-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.31
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 63060030) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID63060030
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cccs2)c1CNC(C)(C)C
InChIInChI=1S/C16H26N4S/c1-12-14(10-17-16(2,3)4)15(20(6)18-12)19(5)11-13-8-7-9-21-13/h7-9,17H,10-11H2,1-6H3
InChIKeyJSPNTDHUGZAEOI-UHFFFAOYSA-N
XLogP3.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 79488921
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61449188
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
CID 63967076
4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 107081607
3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide
CID 106916687
4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
CID 63061086
2-methyl-N-[[1-(thiophen-2-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62223778
N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 55259433
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 63060030) is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)Cc2cccs2)c1CNC(C)(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is JSPNTDHUGZAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-12-14(10-17-16(2,3)4)15(20(6)18-12)19(5)11-13-8-7-9-21-13/h7-9,17H,10-11H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 306.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 63060030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).