(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

C13H20N4O2 — CID 128988827

IUPAC(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCCCn1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-3-4-17-7-10(5-15-17)13(19)16-6-9(2)11(8-16)12(14)18/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,14,18)/t9-,11-/m1/s1
InChIKeyKTVLMTGWRZUQTD-MWLCHTKSSA-N
MW264.33 g/mol
LogP0.49
Rot. Bonds4

About (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 128988827) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID128988827
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCCCn1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-3-4-17-7-10(5-15-17)13(19)16-6-9(2)11(8-16)12(14)18/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,14,18)/t9-,11-/m1/s1
InChIKeyKTVLMTGWRZUQTD-MWLCHTKSSA-N
XLogP0.49
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135
(3S,4S)-4-methyl-1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 128988893
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128970013
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
CID 116587054
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 103450707

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 128988827) is (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is CCCn1cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cn1.
What is the InChIKey of (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is KTVLMTGWRZUQTD-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-17-7-10(5-15-17)13(19)16-6-9(2)11(8-16)12(14)18/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,14,18)/t9-,11-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 128988827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).