1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea

C14H19N5OS — CID 95771302

IUPAC1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1cc(N2CC[C@@H](NC(=O)NCc3cccs3)C2)cn1
InChIInChI=1S/C14H19N5OS/c1-18-10-12(7-16-18)19-5-4-11(9-19)17-14(20)15-8-13-3-2-6-21-13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,17,20)/t11-/m1/s1
InChIKeyOLAUXCSEUJIFLW-LLVKDONJSA-N
MW305.41 g/mol
LogP1.56
Rot. Bonds4

About 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea

1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 95771302) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
PubChem CID95771302
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
SMILESCn1cc(N2CC[C@@H](NC(=O)NCc3cccs3)C2)cn1
InChIInChI=1S/C14H19N5OS/c1-18-10-12(7-16-18)19-5-4-11(9-19)17-14(20)15-8-13-3-2-6-21-13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,17,20)/t11-/m1/s1
InChIKeyOLAUXCSEUJIFLW-LLVKDONJSA-N
XLogP1.56
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)-3-(thiophen-2-ylmethyl)urea
CID 36509584
tert-butyl (3R)-3-(thiophen-2-ylmethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 95765272
(E)-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232118
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111924739
1-[(6-methyl-3-pyridinyl)methyl]-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95759860
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
2-benzyl-4-[[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]amino]-4-oxobutanoic acid
CID 155956934
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea
CID 86998872
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 7215891

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea (CID 95771302) is 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea is Cn1cc(N2CC[C@@H](NC(=O)NCc3cccs3)C2)cn1.
What is the InChIKey of 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is OLAUXCSEUJIFLW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-18-10-12(7-16-18)19-5-4-11(9-19)17-14(20)15-8-13-3-2-6-21-13/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,15,17,20)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea?
1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 305.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 95771302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).