1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea

C15H20FN5O — CID 125164430

IUPAC1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
SMILESCCn1nc(C)c([C@@H](C)NC(=O)Nc2cncc(F)c2)c1C
InChIInChI=1S/C15H20FN5O/c1-5-21-11(4)14(10(3)20-21)9(2)18-15(22)19-13-6-12(16)7-17-8-13/h6-9H,5H2,1-4H3,(H2,18,19,22)/t9-/m1/s1
InChIKeyBEARVDPXXIIQMN-SECBINFHSA-N
MW305.36 g/mol
LogP2.94
Rot. Bonds4

About 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea

1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea (PubChem CID 125164430) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
PubChem CID125164430
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea
SMILESCCn1nc(C)c([C@@H](C)NC(=O)Nc2cncc(F)c2)c1C
InChIInChI=1S/C15H20FN5O/c1-5-21-11(4)14(10(3)20-21)9(2)18-15(22)19-13-6-12(16)7-17-8-13/h6-9H,5H2,1-4H3,(H2,18,19,22)/t9-/m1/s1
InChIKeyBEARVDPXXIIQMN-SECBINFHSA-N
XLogP2.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methylpyridin-3-amine
CID 103932305
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-[4-(methylamino)phenyl]benzamide
CID 125174941
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 91775450
(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353172
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137125644
5-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95230186
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(3-hydroxyphenyl)piperidine-1-carboxamide
CID 126446556
N-ethyl-2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-N-methylpropanamide
CID 103107285
N-[2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706428
1-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-3-[(2R)-4-hydroxybutan-2-yl]urea
CID 110013161
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 131916941

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea?
The IUPAC name of 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea (CID 125164430) is 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea?
The canonical SMILES for 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea is CCn1nc(C)c([C@@H](C)NC(=O)Nc2cncc(F)c2)c1C.
What is the InChIKey of 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea?
The InChIKey is BEARVDPXXIIQMN-SECBINFHSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-5-21-11(4)14(10(3)20-21)9(2)18-15(22)19-13-6-12(16)7-17-8-13/h6-9H,5H2,1-4H3,(H2,18,19,22)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea?
1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea has a molecular weight of 305.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(5-fluoro-3-pyridinyl)urea is sourced from PubChem (CID 125164430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).