1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea

C18H30N6O — CID 127997255

IUPAC1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea
SMILESCc1cc(N2CCC(NC(=O)NC3CN(C4CC4)CC3C)CC2)n[nH]1
InChIInChI=1S/C18H30N6O/c1-12-10-24(15-3-4-15)11-16(12)20-18(25)19-14-5-7-23(8-6-14)17-9-13(2)21-22-17/h9,12,14-16H,3-8,10-11H2,1-2H3,(H,21,22)(H2,19,20,25)
InChIKeyAYLKZHREVDMAQH-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.47
Rot. Bonds4

About 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea

1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea (PubChem CID 127997255) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea
PubChem CID127997255
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea
SMILESCc1cc(N2CCC(NC(=O)NC3CN(C4CC4)CC3C)CC2)n[nH]1
InChIInChI=1S/C18H30N6O/c1-12-10-24(15-3-4-15)11-16(12)20-18(25)19-14-5-7-23(8-6-14)17-9-13(2)21-22-17/h9,12,14-16H,3-8,10-11H2,1-2H3,(H,21,22)(H2,19,20,25)
InChIKeyAYLKZHREVDMAQH-UHFFFAOYSA-N
XLogP1.47
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea (CID 127997255) is 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea is Cc1cc(N2CCC(NC(=O)NC3CN(C4CC4)CC3C)CC2)n[nH]1.
What is the InChIKey of 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea?
The InChIKey is AYLKZHREVDMAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-12-10-24(15-3-4-15)11-16(12)20-18(25)19-14-5-7-23(8-6-14)17-9-13(2)21-22-17/h9,12,14-16H,3-8,10-11H2,1-2H3,(H,21,22)(H2,19,20,25).
What are the key properties of 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea?
1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]urea is sourced from PubChem (CID 127997255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).