(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C17H21FN4O2 — CID 124618863

IUPAC(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F
InChIInChI=1S/C17H21FN4O2/c1-11-6-16(24-3)14(18)7-15(11)20-17(23)22-5-4-12(10-22)13-8-19-21(2)9-13/h6-9,12H,4-5,10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyWKWPSFXRHYVRQA-LBPRGKRZSA-N
MW332.38 g/mol
LogP2.90
Rot. Bonds3

About (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 124618863) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID124618863
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F
InChIInChI=1S/C17H21FN4O2/c1-11-6-16(24-3)14(18)7-15(11)20-17(23)22-5-4-12(10-22)13-8-19-21(2)9-13/h6-9,12H,4-5,10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyWKWPSFXRHYVRQA-LBPRGKRZSA-N
XLogP2.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 136526239
(3S)-N-(3-methoxy-2,4-dimethylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606829
N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide
CID 136564309
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102
(3S)-N-(2-methyl-6-methylsulfanylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124617751
1-[(2,5-difluoro-4-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086649
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111741678
3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742659
N-(3-fluorophenyl)-2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111743040

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 124618863) is (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is COc1cc(C)c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F.
What is the InChIKey of (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is WKWPSFXRHYVRQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-6-16(24-3)14(18)7-15(11)20-17(23)22-5-4-12(10-22)13-8-19-21(2)9-13/h6-9,12H,4-5,10H2,1-3H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124618863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).