(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide

C12H20ClIN4O — CID 128982989

IUPAC(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide
SMILESCc1nn(C)c(Cl)c1CN1C[C@@H](C)[C@H](C(N)=O)C1.I
InChIInChI=1S/C12H19ClN4O.HI/c1-7-4-17(5-9(7)12(14)18)6-10-8(2)15-16(3)11(10)13;/h7,9H,4-6H2,1-3H3,(H2,14,18);1H/t7-,9-;/m1./s1
InChIKeyNOCKSLVDCZGQDC-PRCZDLBKSA-N
MW398.68 g/mol
LogP1.55
Rot. Bonds3

About (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide

(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide (PubChem CID 128982989) has the molecular formula C12H20ClIN4O and a molecular weight of 398.68 g/mol. Its IUPAC name is (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide.

Molecular Properties

Compound Name(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide
PubChem CID128982989
Molecular FormulaC12H20ClIN4O
Molecular Weight398.68 g/mol
Exact Mass398.04
IUPAC Name(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide
SMILESCc1nn(C)c(Cl)c1CN1C[C@@H](C)[C@H](C(N)=O)C1.I
InChIInChI=1S/C12H19ClN4O.HI/c1-7-4-17(5-9(7)12(14)18)6-10-8(2)15-16(3)11(10)13;/h7,9H,4-6H2,1-3H3,(H2,14,18);1H/t7-,9-;/m1./s1
InChIKeyNOCKSLVDCZGQDC-PRCZDLBKSA-N
XLogP1.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide?
The IUPAC name of (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide (CID 128982989) is (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide.
What is the SMILES notation for (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide?
The canonical SMILES for (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide is Cc1nn(C)c(Cl)c1CN1C[C@@H](C)[C@H](C(N)=O)C1.I.
What is the InChIKey of (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide?
The InChIKey is NOCKSLVDCZGQDC-PRCZDLBKSA-N. The full InChI is InChI=1S/C12H19ClN4O.HI/c1-7-4-17(5-9(7)12(14)18)6-10-8(2)15-16(3)11(10)13;/h7,9H,4-6H2,1-3H3,(H2,14,18);1H/t7-,9-;/m1./s1.
What are the key properties of (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide?
(3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide has a molecular weight of 398.68 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxamide;hydroiodide is sourced from PubChem (CID 128982989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).