1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea

C16H21N5O2 — CID 122274126

IUPAC1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCn1nccc1-c1cncc(CNC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H21N5O2/c1-21-15(4-5-20-21)13-7-12(8-17-10-13)9-18-16(22)19-11-14-3-2-6-23-14/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H2,18,19,22)
InChIKeyQUSMEHYJENRHKV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.46
Rot. Bonds5

About 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea

1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 122274126) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID122274126
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
SMILESCn1nccc1-c1cncc(CNC(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H21N5O2/c1-21-15(4-5-20-21)13-7-12(8-17-10-13)9-18-16(22)19-11-14-3-2-6-23-14/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H2,18,19,22)
InChIKeyQUSMEHYJENRHKV-UHFFFAOYSA-N
XLogP1.46
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274109
1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 167946087
1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026803
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
1-[[(2S)-oxolan-2-yl]methyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 94148919
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
1-[(3-bromo-4-methoxyphenyl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95158953

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea (CID 122274126) is 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea is Cn1nccc1-c1cncc(CNC(=O)NCC2CCCO2)c1.
What is the InChIKey of 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is QUSMEHYJENRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21-15(4-5-20-21)13-7-12(8-17-10-13)9-18-16(22)19-11-14-3-2-6-23-14/h4-5,7-8,10,14H,2-3,6,9,11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea?
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 315.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 122274126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).