3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide

C16H16N4OS — CID 56873644

IUPAC3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C16H16N4OS/c1-20(9-11-7-8-22-10-11)16(21)14-13(15(17)19-18-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H3,17,18,19)
InChIKeyXSEOMTHWGCQMIX-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.99
Rot. Bonds4

About 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide

3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 56873644) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID56873644
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccsc1)C(=O)c1[nH]nc(N)c1-c1ccccc1
InChIInChI=1S/C16H16N4OS/c1-20(9-11-7-8-22-10-11)16(21)14-13(15(17)19-18-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H3,17,18,19)
InChIKeyXSEOMTHWGCQMIX-UHFFFAOYSA-N
XLogP2.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide (CID 56873644) is 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide is CN(Cc1ccsc1)C(=O)c1[nH]nc(N)c1-c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XSEOMTHWGCQMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20(9-11-7-8-22-10-11)16(21)14-13(15(17)19-18-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H3,17,18,19).
What are the key properties of 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-phenyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56873644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).