N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C14H15N5OS — CID 155963735

IUPACN-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccn(C)n1
InChIInChI=1S/C14H15N5OS/c1-9(10-5-6-19(2)18-10)15-14(20)12-8-11(16-17-12)13-4-3-7-21-13/h3-9H,1-2H3,(H,15,20)(H,16,17)
InChIKeyCMSMIZGLULQCMA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.36
Rot. Bonds4

About N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 155963735) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID155963735
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccn(C)n1
InChIInChI=1S/C14H15N5OS/c1-9(10-5-6-19(2)18-10)15-14(20)12-8-11(16-17-12)13-4-3-7-21-13/h3-9H,1-2H3,(H,15,20)(H,16,17)
InChIKeyCMSMIZGLULQCMA-UHFFFAOYSA-N
XLogP2.36
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 155963735) is N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccn(C)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is CMSMIZGLULQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9(10-5-6-19(2)18-10)15-14(20)12-8-11(16-17-12)13-4-3-7-21-13/h3-9H,1-2H3,(H,15,20)(H,16,17).
What are the key properties of N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155963735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).