trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide

C20H34N4O2 — CID 164639492

IUPACtrans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CC[C@](C)(C(=O)Nc2c(CC)c(CC)nn2C)C1(C)C
InChIInChI=1S/C20H34N4O2/c1-8-13-15(9-2)23-24(7)16(13)22-18(26)20(6)12-11-14(19(20,4)5)17(25)21-10-3/h14H,8-12H2,1-7H3,(H,21,25)(H,22,26)/t14-,20+/m0/s1
InChIKeyZFPICIMVIUOFDA-VBKZILBWSA-N
MW362.52 g/mol
LogP3.06
Rot. Bonds6

About trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide

trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide (PubChem CID 164639492) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
PubChem CID164639492
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Nametrans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CC[C@](C)(C(=O)Nc2c(CC)c(CC)nn2C)C1(C)C
InChIInChI=1S/C20H34N4O2/c1-8-13-15(9-2)23-24(7)16(13)22-18(26)20(6)12-11-14(19(20,4)5)17(25)21-10-3/h14H,8-12H2,1-7H3,(H,21,25)(H,22,26)/t14-,20+/m0/s1
InChIKeyZFPICIMVIUOFDA-VBKZILBWSA-N
XLogP3.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide (CID 164639492) is trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide is CCNC(=O)[C@@H]1CC[C@](C)(C(=O)Nc2c(CC)c(CC)nn2C)C1(C)C.
What is the InChIKey of trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
The InChIKey is ZFPICIMVIUOFDA-VBKZILBWSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-8-13-15(9-2)23-24(7)16(13)22-18(26)20(6)12-11-14(19(20,4)5)17(25)21-10-3/h14H,8-12H2,1-7H3,(H,21,25)(H,22,26)/t14-,20+/m0/s1.
What are the key properties of trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide?
trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 164639492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).