1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea

C17H23N5O2 — CID 99826604

IUPAC1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
SMILESCOc1cnccc1[C@@H](C)NC(=O)Nc1ccnn1[C@@H](C)C1CC1
InChIInChI=1S/C17H23N5O2/c1-11(14-6-8-18-10-15(14)24-3)20-17(23)21-16-7-9-19-22(16)12(2)13-4-5-13/h6-13H,4-5H2,1-3H3,(H2,20,21,23)/t11-,12+/m1/s1
InChIKeyNAZOJGHXQWADMU-NEPJUHHUSA-N
MW329.40 g/mol
LogP3.14
Rot. Bonds6

About 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea

1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea (PubChem CID 99826604) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
PubChem CID99826604
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
SMILESCOc1cnccc1[C@@H](C)NC(=O)Nc1ccnn1[C@@H](C)C1CC1
InChIInChI=1S/C17H23N5O2/c1-11(14-6-8-18-10-15(14)24-3)20-17(23)21-16-7-9-19-22(16)12(2)13-4-5-13/h6-13H,4-5H2,1-3H3,(H2,20,21,23)/t11-,12+/m1/s1
InChIKeyNAZOJGHXQWADMU-NEPJUHHUSA-N
XLogP3.14
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-[(1-cyclopropylcyclopropyl)methyl]-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99829745
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
(2R)-N-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 124619508
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
1-[1-(3-methoxy-4-pyridinyl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylurea
CID 127990160
1-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99856958
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 99825197
N-[1-(3-methoxy-4-pyridinyl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 127992628
1-[(1S)-1-(3-methoxy-4-pyridinyl)ethyl]-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 99824651
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[1-(3-methoxy-4-pyridinyl)ethyl]urea
CID 126777839
1-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 119034271

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea (CID 99826604) is 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea is COc1cnccc1[C@@H](C)NC(=O)Nc1ccnn1[C@@H](C)C1CC1.
What is the InChIKey of 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
The InChIKey is NAZOJGHXQWADMU-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(14-6-8-18-10-15(14)24-3)20-17(23)21-16-7-9-19-22(16)12(2)13-4-5-13/h6-13H,4-5H2,1-3H3,(H2,20,21,23)/t11-,12+/m1/s1.
What are the key properties of 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea?
1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea has a molecular weight of 329.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-3-[(1R)-1-(3-methoxy-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 99826604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).