N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C16H19FN4O2 — CID 136526239

IUPACN-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C16H19FN4O2/c1-20-9-12(8-18-20)11-5-6-21(10-11)16(22)19-14-4-3-13(17)7-15(14)23-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,22)
InChIKeyXMVDWSGBELCKRW-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.59
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 136526239) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID136526239
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C16H19FN4O2/c1-20-9-12(8-18-20)11-5-6-21(10-11)16(22)19-14-4-3-13(17)7-15(14)23-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,22)
InChIKeyXMVDWSGBELCKRW-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
(3S)-N-(3-methoxy-2,4-dimethylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606829
N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 136515635
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
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
(3S)-N-(2-methyl-6-methylsulfanylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124617751
2-[[ethylamino-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111741699
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 136526239) is N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is COc1cc(F)ccc1NC(=O)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is XMVDWSGBELCKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-20-9-12(8-18-20)11-5-6-21(10-11)16(22)19-14-4-3-13(17)7-15(14)23-2/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,22).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136526239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).