1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea

C15H21N5O — CID 122274156

IUPAC1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
SMILESCn1nccc1-c1cncc(CNC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21N5O/c1-15(2,3)19-14(21)17-9-11-7-12(10-16-8-11)13-5-6-18-20(13)4/h5-8,10H,9H2,1-4H3,(H2,17,19,21)
InChIKeyQNRUGDVTJOPXSD-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.08
Rot. Bonds3

About 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea

1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea (PubChem CID 122274156) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
PubChem CID122274156
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
SMILESCn1nccc1-c1cncc(CNC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21N5O/c1-15(2,3)19-14(21)17-9-11-7-12(10-16-8-11)13-5-6-18-20(13)4/h5-8,10H,9H2,1-4H3,(H2,17,19,21)
InChIKeyQNRUGDVTJOPXSD-UHFFFAOYSA-N
XLogP2.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 122274126
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
1-(5-chloro-2-methoxyphenyl)-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 119105195
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
CID 146078308

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea (CID 122274156) is 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea is Cn1nccc1-c1cncc(CNC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
The InChIKey is QNRUGDVTJOPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)19-14(21)17-9-11-7-12(10-16-8-11)13-5-6-18-20(13)4/h5-8,10H,9H2,1-4H3,(H2,17,19,21).
What are the key properties of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea?
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 122274156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).