1-methyl-3-pyrazolidin-4-ylurea

C5H12N4O — CID 70272773

IUPAC1-methyl-3-pyrazolidin-4-ylurea
SMILESCNC(=O)NC1CNNC1
InChIInChI=1S/C5H12N4O/c1-6-5(10)9-4-2-7-8-3-4/h4,7-8H,2-3H2,1H3,(H2,6,9,10)
InChIKeyFXEIVAPDKCNCTB-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.61
Rot. Bonds1

About 1-methyl-3-pyrazolidin-4-ylurea

1-methyl-3-pyrazolidin-4-ylurea (PubChem CID 70272773) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 1-methyl-3-pyrazolidin-4-ylurea.

Molecular Properties

Compound Name1-methyl-3-pyrazolidin-4-ylurea
PubChem CID70272773
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name1-methyl-3-pyrazolidin-4-ylurea
SMILESCNC(=O)NC1CNNC1
InChIInChI=1S/C5H12N4O/c1-6-5(10)9-4-2-7-8-3-4/h4,7-8H,2-3H2,1H3,(H2,6,9,10)
InChIKeyFXEIVAPDKCNCTB-UHFFFAOYSA-N
XLogP-1.61
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-piperidin-4-ylurea
CID 18759970
1-cyclopent-3-en-1-yl-3-methylurea
CID 115695215
1-(4-fluorocyclohexyl)-3-methylurea
CID 130670834
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
1-methyl-3-[6-(trifluoromethyl)piperidin-3-yl]urea
CID 82810862
1-(1-ethylazetidin-3-yl)-3-methylurea
CID 126997556
1-[3-(aminomethyl)cyclohexyl]-3-methylurea
CID 130538288
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
CID 71020449
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide
CID 166654553
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075
1,3-dimethylurea
CID 163366790

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrazolidin-4-ylurea?
The IUPAC name of 1-methyl-3-pyrazolidin-4-ylurea (CID 70272773) is 1-methyl-3-pyrazolidin-4-ylurea.
What is the SMILES notation for 1-methyl-3-pyrazolidin-4-ylurea?
The canonical SMILES for 1-methyl-3-pyrazolidin-4-ylurea is CNC(=O)NC1CNNC1.
What is the InChIKey of 1-methyl-3-pyrazolidin-4-ylurea?
The InChIKey is FXEIVAPDKCNCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-6-5(10)9-4-2-7-8-3-4/h4,7-8H,2-3H2,1H3,(H2,6,9,10).
What are the key properties of 1-methyl-3-pyrazolidin-4-ylurea?
1-methyl-3-pyrazolidin-4-ylurea has a molecular weight of 144.18 g/mol, XLogP of -1.61, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrazolidin-4-ylurea is sourced from PubChem (CID 70272773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).