4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C14H20BrN3S — CID 107081607

IUPAC4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(Cc2cccs2)C(C)C)c1CBr
InChIInChI=1S/C14H20BrN3S/c1-10(2)18(9-12-6-5-7-19-12)14-13(8-15)11(3)16-17(14)4/h5-7,10H,8-9H2,1-4H3
InChIKeyIYYOGTFFFPCIDY-UHFFFAOYSA-N
MW342.31 g/mol
LogP4.10
Rot. Bonds5

About 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine

4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 107081607) has the molecular formula C14H20BrN3S and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID107081607
Molecular FormulaC14H20BrN3S
Molecular Weight342.31 g/mol
Exact Mass341.06
IUPAC Name4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(Cc2cccs2)C(C)C)c1CBr
InChIInChI=1S/C14H20BrN3S/c1-10(2)18(9-12-6-5-7-19-12)14-13(8-15)11(3)16-17(14)4/h5-7,10H,8-9H2,1-4H3
InChIKeyIYYOGTFFFPCIDY-UHFFFAOYSA-N
XLogP4.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63817228
3-methyl-5-N-propan-2-yl-1-propyl-5-N-(thiophen-2-ylmethyl)pyrazole-4,5-diamine
CID 66028019
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
4-(bromomethyl)-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylpyrazol-5-amine
CID 107084904
4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
CID 107079390
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 79488921
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-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63060030
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79476509
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751809
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765983

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 107081607) is 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(Cc2cccs2)C(C)C)c1CBr.
What is the InChIKey of 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is IYYOGTFFFPCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S/c1-10(2)18(9-12-6-5-7-19-12)14-13(8-15)11(3)16-17(14)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 342.31 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,3-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 107081607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).