N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine

C14H21N3S — CID 50968678

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCCn1cc(CN(Cc2ccsc2)C(C)C)cn1
InChIInChI=1S/C14H21N3S/c1-4-17-10-14(7-15-17)9-16(12(2)3)8-13-5-6-18-11-13/h5-7,10-12H,4,8-9H2,1-3H3
InChIKeyYCVZCOYBQSLGAP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.38
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine

N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 50968678) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID50968678
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCCn1cc(CN(Cc2ccsc2)C(C)C)cn1
InChIInChI=1S/C14H21N3S/c1-4-17-10-14(7-15-17)9-16(12(2)3)8-13-5-6-18-11-13/h5-7,10-12H,4,8-9H2,1-3H3
InChIKeyYCVZCOYBQSLGAP-UHFFFAOYSA-N
XLogP3.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine (CID 50968678) is N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine is CCn1cc(CN(Cc2ccsc2)C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is YCVZCOYBQSLGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-17-10-14(7-15-17)9-16(12(2)3)8-13-5-6-18-11-13/h5-7,10-12H,4,8-9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 50968678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).