(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

C14H24N4O2 — CID 110203726

IUPAC(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCc1cc(CN2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-10-5-12(17(4)15-10)7-18-6-11(9-19)13(8-18)14(20)16(2)3/h5,11,13,19H,6-9H2,1-4H3/t11-,13+/m0/s1
InChIKeyAFMXYTQGPPCSMB-WCQYABFASA-N
MW280.37 g/mol
LogP-0.14
Rot. Bonds4

About (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 110203726) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID110203726
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCc1cc(CN2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-10-5-12(17(4)15-10)7-18-6-11(9-19)13(8-18)14(20)16(2)3/h5,11,13,19H,6-9H2,1-4H3/t11-,13+/m0/s1
InChIKeyAFMXYTQGPPCSMB-WCQYABFASA-N
XLogP-0.14
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 110203726) is (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is Cc1cc(CN2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)n(C)n1.
What is the InChIKey of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is AFMXYTQGPPCSMB-WCQYABFASA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-5-12(17(4)15-10)7-18-6-11(9-19)13(8-18)14(20)16(2)3/h5,11,13,19H,6-9H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
(3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).