N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

C17H28N4O — CID 129333358

IUPACN-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCc1nn(C)cc1CN1CCC[C@@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C17H28N4O/c1-4-17-14(10-19(3)18-17)11-20-9-5-6-16(20)12-21(13(2)22)15-7-8-15/h10,15-16H,4-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyFOUGERXQGTYGSP-MRXNPFEDSA-N
MW304.44 g/mol
LogP1.96
Rot. Bonds6

About N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129333358) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129333358
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCc1nn(C)cc1CN1CCC[C@@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C17H28N4O/c1-4-17-14(10-19(3)18-17)11-20-9-5-6-16(20)12-21(13(2)22)15-7-8-15/h10,15-16H,4-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyFOUGERXQGTYGSP-MRXNPFEDSA-N
XLogP1.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129333358) is N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is CCc1nn(C)cc1CN1CCC[C@@H]1CN(C(C)=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is FOUGERXQGTYGSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-17-14(10-19(3)18-17)11-20-9-5-6-16(20)12-21(13(2)22)15-7-8-15/h10,15-16H,4-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129333358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).