N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine

C15H24N4S — CID 43527756

IUPACN,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)Cc1cccs1
InChIInChI=1S/C15H24N4S/c1-5-8-16-10-14-12(2)17-19(4)15(14)18(3)11-13-7-6-9-20-13/h6-7,9,16H,5,8,10-11H2,1-4H3
InChIKeyDRGSBZYEBZWGJK-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.93
Rot. Bonds7

About N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine

N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine (PubChem CID 43527756) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
PubChem CID43527756
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
SMILESCCCNCc1c(C)nn(C)c1N(C)Cc1cccs1
InChIInChI=1S/C15H24N4S/c1-5-8-16-10-14-12(2)17-19(4)15(14)18(3)11-13-7-6-9-20-13/h6-7,9,16H,5,8,10-11H2,1-4H3
InChIKeyDRGSBZYEBZWGJK-UHFFFAOYSA-N
XLogP2.93
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1,3-Dimethyl-4-nitro-N-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2807346
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45821205
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 51104719
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 51104810
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 51105120
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 53503087
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 53541598
1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 53542546

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine (CID 43527756) is N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine is CCCNCc1c(C)nn(C)c1N(C)Cc1cccs1.
What is the InChIKey of N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
The InChIKey is DRGSBZYEBZWGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-5-8-16-10-14-12(2)17-19(4)15(14)18(3)11-13-7-6-9-20-13/h6-7,9,16H,5,8,10-11H2,1-4H3.
What are the key properties of N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine?
N,1,3-trimethyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine has a molecular weight of 292.45 g/mol, XLogP of 2.93, 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-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 43527756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).