1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

C16H25N5O2 — CID 94154225

IUPAC1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1c([C@H](C)NC(=O)NC[C@H](c2ccco2)N(C)C)cnn1C
InChIInChI=1S/C16H25N5O2/c1-11(13-9-18-21(5)12(13)2)19-16(22)17-10-14(20(3)4)15-7-6-8-23-15/h6-9,11,14H,10H2,1-5H3,(H2,17,19,22)/t11-,14+/m0/s1
InChIKeyYPCUMJQZQPMLGK-SMDDNHRTSA-N
MW319.41 g/mol
LogP1.98
Rot. Bonds6

About 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 94154225) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID94154225
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1c([C@H](C)NC(=O)NC[C@H](c2ccco2)N(C)C)cnn1C
InChIInChI=1S/C16H25N5O2/c1-11(13-9-18-21(5)12(13)2)19-16(22)17-10-14(20(3)4)15-7-6-8-23-15/h6-9,11,14H,10H2,1-5H3,(H2,17,19,22)/t11-,14+/m0/s1
InChIKeyYPCUMJQZQPMLGK-SMDDNHRTSA-N
XLogP1.98
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94017330
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
CID 60569811
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (CID 94154225) is 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is Cc1c([C@H](C)NC(=O)NC[C@H](c2ccco2)N(C)C)cnn1C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is YPCUMJQZQPMLGK-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(13-9-18-21(5)12(13)2)19-16(22)17-10-14(20(3)4)15-7-6-8-23-15/h6-9,11,14H,10H2,1-5H3,(H2,17,19,22)/t11-,14+/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 319.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 94154225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).