4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole

C15H17N5S — CID 125009893

IUPAC4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
SMILESc1csc(-c2[nH]ncc2CN2CC[C@@H](c3ccn[nH]3)C2)c1
InChIInChI=1S/C15H17N5S/c1-2-14(21-7-1)15-12(8-17-19-15)10-20-6-4-11(9-20)13-3-5-16-18-13/h1-3,5,7-8,11H,4,6,9-10H2,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyVFOVFKXSQXGEBS-LLVKDONJSA-N
MW299.40 g/mol
LogP2.85
Rot. Bonds4

About 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole

4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole (PubChem CID 125009893) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
PubChem CID125009893
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
SMILESc1csc(-c2[nH]ncc2CN2CC[C@@H](c3ccn[nH]3)C2)c1
InChIInChI=1S/C15H17N5S/c1-2-14(21-7-1)15-12(8-17-19-15)10-20-6-4-11(9-20)13-3-5-16-18-13/h1-3,5,7-8,11H,4,6,9-10H2,(H,16,18)(H,17,19)/t11-/m1/s1
InChIKeyVFOVFKXSQXGEBS-LLVKDONJSA-N
XLogP2.85
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole with MolForge

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Related Compounds

[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 95215058
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 56753766
2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 156610621
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
1-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 56739796
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137030427
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
2-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125020229
1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
CID 75401554
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole (CID 125009893) is 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole is c1csc(-c2[nH]ncc2CN2CC[C@@H](c3ccn[nH]3)C2)c1.
What is the InChIKey of 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is VFOVFKXSQXGEBS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-14(21-7-1)15-12(8-17-19-15)10-20-6-4-11(9-20)13-3-5-16-18-13/h1-3,5,7-8,11H,4,6,9-10H2,(H,16,18)(H,17,19)/t11-/m1/s1.
What are the key properties of 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole?
4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 299.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 125009893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).