(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C18H26N4O2 — CID 124883497

IUPAC(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2cnn(C)c2)o1
InChIInChI=1S/C18H26N4O2/c1-13(6-8-16-9-7-14(2)24-16)20-18(23)22-10-4-5-17(22)15-11-19-21(3)12-15/h7,9,11-13,17H,4-6,8,10H2,1-3H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyOMHIDOZNJLDHCP-SUMWQHHRSA-N
MW330.43 g/mol
LogP3.19
Rot. Bonds5

About (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 124883497) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID124883497
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2cnn(C)c2)o1
InChIInChI=1S/C18H26N4O2/c1-13(6-8-16-9-7-14(2)24-16)20-18(23)22-10-4-5-17(22)15-11-19-21(3)12-15/h7,9,11-13,17H,4-6,8,10H2,1-3H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyOMHIDOZNJLDHCP-SUMWQHHRSA-N
XLogP3.19
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
N-[1-(2-ethylimidazol-1-yl)propan-2-yl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167816630
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95752168
3-(5-methylfuran-2-yl)-1-[(3R)-3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]propan-1-one
CID 129338946
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95569339
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenylpyrrolidine-1-carboxamide
CID 96554428
3-[(2R)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 95977734
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 124883497) is (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2cnn(C)c2)o1.
What is the InChIKey of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is OMHIDOZNJLDHCP-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(6-8-16-9-7-14(2)24-16)20-18(23)22-10-4-5-17(22)15-11-19-21(3)12-15/h7,9,11-13,17H,4-6,8,10H2,1-3H3,(H,20,23)/t13-,17+/m0/s1.
What are the key properties of (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-4-(5-methylfuran-2-yl)butan-2-yl]-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124883497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).