(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

C16H27N5O2 — CID 71969908

IUPAC(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cnn(C)c1
InChIInChI=1S/C16H27N5O2/c1-12(2)19-16(23)21-9-5-7-14(21)15(22)17-8-4-6-13-10-18-20(3)11-13/h10-12,14H,4-9H2,1-3H3,(H,17,22)(H,19,23)/t14-/m0/s1
InChIKeyPBMLPJJVRWRSSB-AWEZNQCLSA-N
MW321.43 g/mol
LogP1.05
Rot. Bonds6

About (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 71969908) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID71969908
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cnn(C)c1
InChIInChI=1S/C16H27N5O2/c1-12(2)19-16(23)21-9-5-7-14(21)15(22)17-8-4-6-13-10-18-20(3)11-13/h10-12,14H,4-9H2,1-3H3,(H,17,22)(H,19,23)/t14-/m0/s1
InChIKeyPBMLPJJVRWRSSB-AWEZNQCLSA-N
XLogP1.05
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 71969908) is (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCCc1cnn(C)c1.
What is the InChIKey of (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is PBMLPJJVRWRSSB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12(2)19-16(23)21-9-5-7-14(21)15(22)17-8-4-6-13-10-18-20(3)11-13/h10-12,14H,4-9H2,1-3H3,(H,17,22)(H,19,23)/t14-/m0/s1.
What are the key properties of (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71969908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).