1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea

C19H29N5O2 — CID 118764524

IUPAC1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)C(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C19H29N5O2/c1-22(11-13-9-18(25)24(12-13)15-5-3-4-6-15)19(26)20-17-10-16(14-7-8-14)21-23(17)2/h10,13-15H,3-9,11-12H2,1-2H3,(H,20,26)
InChIKeyQJWMBOHZPBCYCU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.55
Rot. Bonds5

About 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea

1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea (PubChem CID 118764524) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea
PubChem CID118764524
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)C(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C19H29N5O2/c1-22(11-13-9-18(25)24(12-13)15-5-3-4-6-15)19(26)20-17-10-16(14-7-8-14)21-23(17)2/h10,13-15H,3-9,11-12H2,1-2H3,(H,20,26)
InChIKeyQJWMBOHZPBCYCU-UHFFFAOYSA-N
XLogP2.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea?
The IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea (CID 118764524) is 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea.
What is the SMILES notation for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea?
The canonical SMILES for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea is CN(CC1CC(=O)N(C2CCCC2)C1)C(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea?
The InChIKey is QJWMBOHZPBCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-22(11-13-9-18(25)24(12-13)15-5-3-4-6-15)19(26)20-17-10-16(14-7-8-14)21-23(17)2/h10,13-15H,3-9,11-12H2,1-2H3,(H,20,26).
What are the key properties of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea?
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea has a molecular weight of 359.47 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylurea is sourced from PubChem (CID 118764524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).