N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide

C18H29N5O3 — CID 127400528

IUPACN-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide
SMILESCN(CC1CCCOC1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H29N5O3/c1-22(10-14-5-4-8-26-13-14)18(25)21-16-9-19-23(11-16)12-17(24)20-15-6-2-3-7-15/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyLGWDDJVBFWNYCC-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.83
Rot. Bonds6

About N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide

N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide (PubChem CID 127400528) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide
PubChem CID127400528
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide
SMILESCN(CC1CCCOC1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1
InChIInChI=1S/C18H29N5O3/c1-22(10-14-5-4-8-26-13-14)18(25)21-16-9-19-23(11-16)12-17(24)20-15-6-2-3-7-15/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,20,24)(H,21,25)
InChIKeyLGWDDJVBFWNYCC-UHFFFAOYSA-N
XLogP1.83
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide (CID 127400528) is N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide is CN(CC1CCCOC1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide?
The InChIKey is LGWDDJVBFWNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-22(10-14-5-4-8-26-13-14)18(25)21-16-9-19-23(11-16)12-17(24)20-15-6-2-3-7-15/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide?
N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 127400528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).