1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea

C10H17FN4O — CID 87745112

IUPAC1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea
SMILESCc1n[nH]c(C)c1C(C)NC(=O)NCCF
InChIInChI=1S/C10H17FN4O/c1-6(13-10(16)12-5-4-11)9-7(2)14-15-8(9)3/h6H,4-5H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyMSPRZBWMVCDJBM-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.36
Rot. Bonds4

About 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea

1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea (PubChem CID 87745112) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea
PubChem CID87745112
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea
SMILESCc1n[nH]c(C)c1C(C)NC(=O)NCCF
InChIInChI=1S/C10H17FN4O/c1-6(13-10(16)12-5-4-11)9-7(2)14-15-8(9)3/h6H,4-5H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyMSPRZBWMVCDJBM-UHFFFAOYSA-N
XLogP1.36
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea (CID 87745112) is 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea is Cc1n[nH]c(C)c1C(C)NC(=O)NCCF.
What is the InChIKey of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea?
The InChIKey is MSPRZBWMVCDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-6(13-10(16)12-5-4-11)9-7(2)14-15-8(9)3/h6H,4-5H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea?
1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea has a molecular weight of 228.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 87745112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).