(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide

C18H29N5O2 — CID 97242019

IUPAC(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H29N5O2/c1-5-14(16-11(2)21-22(4)12(16)3)20-18(25)23-10-6-7-15(23)17(24)19-13-8-9-13/h13-15H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-,15-/m1/s1
InChIKeyLCNDUHBDBJCYON-HUUCEWRRSA-N
MW347.46 g/mol
LogP1.94
Rot. Bonds5

About (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide

(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 97242019) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
PubChem CID97242019
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H29N5O2/c1-5-14(16-11(2)21-22(4)12(16)3)20-18(25)23-10-6-7-15(23)17(24)19-13-8-9-13/h13-15H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-,15-/m1/s1
InChIKeyLCNDUHBDBJCYON-HUUCEWRRSA-N
XLogP1.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide (CID 97242019) is (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide is CC[C@@H](NC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1c(C)nn(C)c1C.
What is the InChIKey of (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is LCNDUHBDBJCYON-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-5-14(16-11(2)21-22(4)12(16)3)20-18(25)23-10-6-7-15(23)17(24)19-13-8-9-13/h13-15H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-cyclopropyl-1-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97242019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).