1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea

C14H19N5O2 — CID 95130177

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCOCCn1cc(NC(=O)N[C@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H19N5O2/c1-11(12-4-3-5-15-8-12)17-14(20)18-13-9-16-19(10-13)6-7-21-2/h3-5,8-11H,6-7H2,1-2H3,(H2,17,18,20)/t11-/m1/s1
InChIKeyMBGRGKPZCQOXOU-LLVKDONJSA-N
MW289.34 g/mol
LogP1.81
Rot. Bonds6

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 95130177) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID95130177
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCOCCn1cc(NC(=O)N[C@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H19N5O2/c1-11(12-4-3-5-15-8-12)17-14(20)18-13-9-16-19(10-13)6-7-21-2/h3-5,8-11H,6-7H2,1-2H3,(H2,17,18,20)/t11-/m1/s1
InChIKeyMBGRGKPZCQOXOU-LLVKDONJSA-N
XLogP1.81
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 95979762
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
4-methoxy-2-(1-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 62480423
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
1-(2-methoxyethyl)-6-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridazine-3-carboxamide
CID 94015301

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea (CID 95130177) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea is COCCn1cc(NC(=O)N[C@H](C)c2cccnc2)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is MBGRGKPZCQOXOU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11(12-4-3-5-15-8-12)17-14(20)18-13-9-16-19(10-13)6-7-21-2/h3-5,8-11H,6-7H2,1-2H3,(H2,17,18,20)/t11-/m1/s1.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 289.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95130177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).