1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea

C15H21N5O2 — CID 72904070

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
SMILESCOc1ncccc1NC(=O)N(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H21N5O2/c1-10-12(11(2)19-18-10)7-9-20(3)15(21)17-13-6-5-8-16-14(13)22-4/h5-6,8H,7,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyFADPNLVQKVOSGH-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea (PubChem CID 72904070) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
PubChem CID72904070
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
SMILESCOc1ncccc1NC(=O)N(C)CCc1c(C)n[nH]c1C
InChIInChI=1S/C15H21N5O2/c1-10-12(11(2)19-18-10)7-9-20(3)15(21)17-13-6-5-8-16-14(13)22-4/h5-6,8H,7,9H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyFADPNLVQKVOSGH-UHFFFAOYSA-N
XLogP2.14
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea (CID 72904070) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea is COc1ncccc1NC(=O)N(C)CCc1c(C)n[nH]c1C.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
The InChIKey is FADPNLVQKVOSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-12(11(2)19-18-10)7-9-20(3)15(21)17-13-6-5-8-16-14(13)22-4/h5-6,8H,7,9H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea has a molecular weight of 303.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 72904070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).