N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H16N6OS — CID 90544954

IUPACN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H16N6OS/c23-16(12-8-11(20-21-12)13-4-3-7-24-13)19-14-9-15(18-10-17-14)22-5-1-2-6-22/h3-4,7-10H,1-2,5-6H2,(H,20,21)(H,17,18,19,23)
InChIKeyGRKBBWAQNSWEMT-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.78
Rot. Bonds4

About N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 90544954) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID90544954
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H16N6OS/c23-16(12-8-11(20-21-12)13-4-3-7-24-13)19-14-9-15(18-10-17-14)22-5-1-2-6-22/h3-4,7-10H,1-2,5-6H2,(H,20,21)(H,17,18,19,23)
InChIKeyGRKBBWAQNSWEMT-UHFFFAOYSA-N
XLogP2.78
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78901118
4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 71794931
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626568
5-chloro-2-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrimidine-4-carboxamide
CID 55977487
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 90544740
N-(2,4-dimorpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 112834593
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121141691
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719477

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 90544954) is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cc(N2CCCC2)ncn1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GRKBBWAQNSWEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(12-8-11(20-21-12)13-4-3-7-24-13)19-14-9-15(18-10-17-14)22-5-1-2-6-22/h3-4,7-10H,1-2,5-6H2,(H,20,21)(H,17,18,19,23).
What are the key properties of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90544954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).