N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

C19H21FN4O3 — CID 42596640

IUPACN-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C19H21FN4O3/c20-15-3-1-2-4-17(15)27-11-13-8-16(23-22-13)19(26)21-9-12-7-18(25)24(10-12)14-5-6-14/h1-4,8,12,14H,5-7,9-11H2,(H,21,26)(H,22,23)/t12-/m1/s1
InChIKeySXRMTMNEPZAPTA-GFCCVEGCSA-N
MW372.40 g/mol
LogP1.87
Rot. Bonds7

About N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42596640) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42596640
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C19H21FN4O3/c20-15-3-1-2-4-17(15)27-11-13-8-16(23-22-13)19(26)21-9-12-7-18(25)24(10-12)14-5-6-14/h1-4,8,12,14H,5-7,9-11H2,(H,21,26)(H,22,23)/t12-/m1/s1
InChIKeySXRMTMNEPZAPTA-GFCCVEGCSA-N
XLogP1.87
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110743227
5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56757095
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 25274700
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749691
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 91772754
5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126449062
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-fluorophenyl)propanamide
CID 110719906
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 56747841
[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95218664

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide (CID 42596640) is N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SXRMTMNEPZAPTA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-15-3-1-2-4-17(15)27-11-13-8-16(23-22-13)19(26)21-9-12-7-18(25)24(10-12)14-5-6-14/h1-4,8,12,14H,5-7,9-11H2,(H,21,26)(H,22,23)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide?
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42596640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).