1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C14H22N4S — CID 54866678

IUPAC1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C14H22N4S/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h5,8,10-12,15H,3-4,6-7,9H2,1-2H3
InChIKeyRRQLUPYAWMBDFB-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.90
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 54866678) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID54866678
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C14H22N4S/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h5,8,10-12,15H,3-4,6-7,9H2,1-2H3
InChIKeyRRQLUPYAWMBDFB-UHFFFAOYSA-N
XLogP2.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499696
1-[2-(Dimethylamino)-2-thiophen-3-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502856
N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 56781302
N-[(5-nitrothiophen-3-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 75514822
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
1-[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128973411
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 54866678) is 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine is CCN(CC)CCn1cc(NCc2ccsc2)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is RRQLUPYAWMBDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h5,8,10-12,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 278.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 54866678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).