1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea

C13H17N5O — CID 75507984

IUPAC1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cnn(CCNC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C13H17N5O/c1-10-8-15-18(9-10)7-6-14-13(19)17-12-5-3-4-11(2)16-12/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16,17,19)
InChIKeyHMBLVXQDPMTSNX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea

1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea (PubChem CID 75507984) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
PubChem CID75507984
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cnn(CCNC(=O)Nc2cccc(C)n2)c1
InChIInChI=1S/C13H17N5O/c1-10-8-15-18(9-10)7-6-14-13(19)17-12-5-3-4-11(2)16-12/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16,17,19)
InChIKeyHMBLVXQDPMTSNX-UHFFFAOYSA-N
XLogP1.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
Arylpyrazole, 23
CID 44143423
3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 843498
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyridin-4-ylmethyl-phenyl)-urea
CID 9969008
6-Amino-2-(butylamino)-9-((6-methylpyridin-3-yl)methyl)-7,9-dihydro-8H-purin-8-one
CID 10359083
4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 52936268
1-Tert-butyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 53236670
1-[7-(1-Methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-3-(2-phenylethyl)urea
CID 53239587
[4-[2-(4-Chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea (CID 75507984) is 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea is Cc1cnn(CCNC(=O)Nc2cccc(C)n2)c1.
What is the InChIKey of 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is HMBLVXQDPMTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-8-15-18(9-10)7-6-14-13(19)17-12-5-3-4-11(2)16-12/h3-5,8-9H,6-7H2,1-2H3,(H2,14,16,17,19).
What are the key properties of 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea?
1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrazol-1-yl)ethyl]-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 75507984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).