1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea

C10H16N4O — CID 99786700

IUPAC1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea
SMILESC=CC[C@H](C)NC(=O)Nc1ccnn1C
InChIInChI=1S/C10H16N4O/c1-4-5-8(2)12-10(15)13-9-6-7-11-14(9)3/h4,6-8H,1,5H2,2-3H3,(H2,12,13,15)/t8-/m0/s1
InChIKeyDAAMXZXENMATKI-QMMMGPOBSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea

1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea (PubChem CID 99786700) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea
PubChem CID99786700
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea
SMILESC=CC[C@H](C)NC(=O)Nc1ccnn1C
InChIInChI=1S/C10H16N4O/c1-4-5-8(2)12-10(15)13-9-6-7-11-14(9)3/h4,6-8H,1,5H2,2-3H3,(H2,12,13,15)/t8-/m0/s1
InChIKeyDAAMXZXENMATKI-QMMMGPOBSA-N
XLogP1.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea (CID 99786700) is 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea is C=CC[C@H](C)NC(=O)Nc1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea?
The InChIKey is DAAMXZXENMATKI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-5-8(2)12-10(15)13-9-6-7-11-14(9)3/h4,6-8H,1,5H2,2-3H3,(H2,12,13,15)/t8-/m0/s1.
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea?
1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea has a molecular weight of 208.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-[(2S)-pent-4-en-2-yl]urea is sourced from PubChem (CID 99786700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).