(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

C14H21N5O2 — CID 128986038

IUPAC(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)N(C)C1
InChIInChI=1S/C14H21N5O2/c1-10-7-13(17-19(10)6-4-5-15)16-14(20)12-8-11(21-3)9-18(12)2/h7,11-12H,4,6,8-9H2,1-3H3,(H,16,17,20)/t11-,12-/m0/s1
InChIKeyOXELSTFUSDHUCT-RYUDHWBXSA-N
MW291.36 g/mol
LogP0.76
Rot. Bonds5

About (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide

(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 128986038) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
PubChem CID128986038
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)N(C)C1
InChIInChI=1S/C14H21N5O2/c1-10-7-13(17-19(10)6-4-5-15)16-14(20)12-8-11(21-3)9-18(12)2/h7,11-12H,4,6,8-9H2,1-3H3,(H,16,17,20)/t11-,12-/m0/s1
InChIKeyOXELSTFUSDHUCT-RYUDHWBXSA-N
XLogP0.76
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-1-benzyl-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylpyrrolidine-3-carboxamide
CID 128986087
(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 128975610
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide
CID 128995921
1-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 97253548
(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 154757165
(2R,3R)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128986031
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 136534539
(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985996
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128987454
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-hydroxy-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
CID 166193506
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide (CID 128986038) is (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)N(C)C1.
What is the InChIKey of (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is OXELSTFUSDHUCT-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-7-13(17-19(10)6-4-5-15)16-14(20)12-8-11(21-3)9-18(12)2/h7,11-12H,4,6,8-9H2,1-3H3,(H,16,17,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128986038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).