1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

C16H18N6OS — CID 166303808

IUPAC1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCn1nc(C2CCCN2)cc1C(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H18N6OS/c1-22-13(8-11(21-22)10-4-2-6-17-10)16(23)18-15-9-12(19-20-15)14-5-3-7-24-14/h3,5,7-10,17H,2,4,6H2,1H3,(H2,18,19,20,23)
InChIKeyDMSBMFMZTMXQPZ-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (PubChem CID 166303808) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
PubChem CID166303808
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCn1nc(C2CCCN2)cc1C(=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H18N6OS/c1-22-13(8-11(21-22)10-4-2-6-17-10)16(23)18-15-9-12(19-20-15)14-5-3-7-24-14/h3,5,7-10,17H,2,4,6H2,1H3,(H2,18,19,20,23)
InChIKeyDMSBMFMZTMXQPZ-UHFFFAOYSA-N
XLogP2.55
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (CID 166303808) is 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is Cn1nc(C2CCCN2)cc1C(=O)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is DMSBMFMZTMXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-22-13(8-11(21-22)10-4-2-6-17-10)16(23)18-15-9-12(19-20-15)14-5-3-7-24-14/h3,5,7-10,17H,2,4,6H2,1H3,(H2,18,19,20,23).
What are the key properties of 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 166303808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).