N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine

C16H26N4S — CID 79488921

IUPACN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCc2cccs2)c1CNC(C)C
InChIInChI=1S/C16H26N4S/c1-12(2)17-11-15-13(3)18-20(5)16(15)19(4)9-8-14-7-6-10-21-14/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyZLLAPVPRKWHLST-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.97
Rot. Bonds7

About N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine

N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine (PubChem CID 79488921) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
PubChem CID79488921
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCc2cccs2)c1CNC(C)C
InChIInChI=1S/C16H26N4S/c1-12(2)17-11-15-13(3)18-20(5)16(15)19(4)9-8-14-7-6-10-21-14/h6-7,10,12,17H,8-9,11H2,1-5H3
InChIKeyZLLAPVPRKWHLST-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63060030
1,3-dimethyl-5-[methyl(2-thiophen-2-ylethyl)amino]pyrazole-4-carbothioamide
CID 79493990
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
3-[1,3-dimethyl-5-[methyl(2-thiophen-2-ylethyl)amino]pyrazol-4-yl]prop-2-enoic acid
CID 79489144
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281054
N,1,3-trimethyl-N-(oxan-4-ylmethyl)-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 63713832
4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 107081607
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 114196068
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 115576261

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine (CID 79488921) is N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CCc2cccs2)c1CNC(C)C.
What is the InChIKey of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine?
The InChIKey is ZLLAPVPRKWHLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-12(2)17-11-15-13(3)18-20(5)16(15)19(4)9-8-14-7-6-10-21-14/h6-7,10,12,17H,8-9,11H2,1-5H3.
What are the key properties of N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine has a molecular weight of 306.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine is sourced from PubChem (CID 79488921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).