N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C19H30N4O2 — CID 95605944

IUPACN-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1nc(C)cc1C)C1CCCC1
InChIInChI=1S/C19H30N4O2/c1-13-11-14(2)23(21-13)12-17-9-6-10-22(17)19(25)18(20-15(3)24)16-7-4-5-8-16/h11,16-18H,4-10,12H2,1-3H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyJDFGWPPDYDPRIM-ROUUACIJSA-N
MW346.48 g/mol
LogP2.19
Rot. Bonds5

About N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95605944) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID95605944
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1nc(C)cc1C)C1CCCC1
InChIInChI=1S/C19H30N4O2/c1-13-11-14(2)23(21-13)12-17-9-6-10-22(17)19(25)18(20-15(3)24)16-7-4-5-8-16/h11,16-18H,4-10,12H2,1-3H3,(H,20,24)/t17-,18-/m0/s1
InChIKeyJDFGWPPDYDPRIM-ROUUACIJSA-N
XLogP2.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 95605944) is N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1nc(C)cc1C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is JDFGWPPDYDPRIM-ROUUACIJSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-11-14(2)23(21-13)12-17-9-6-10-22(17)19(25)18(20-15(3)24)16-7-4-5-8-16/h11,16-18H,4-10,12H2,1-3H3,(H,20,24)/t17-,18-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95605944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).