N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

C18H24N4O2 — CID 118524372

IUPACN-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCOCC(Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCC1
InChIInChI=1S/C18H24N4O2/c1-24-14-16(19-18(23)21-10-5-6-11-21)13-22-12-9-17(20-22)15-7-3-2-4-8-15/h2-4,7-9,12,16H,5-6,10-11,13-14H2,1H3,(H,19,23)
InChIKeyPVOLPCXGGZUMSN-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.37
Rot. Bonds6

About N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 118524372) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID118524372
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCOCC(Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCC1
InChIInChI=1S/C18H24N4O2/c1-24-14-16(19-18(23)21-10-5-6-11-21)13-22-12-9-17(20-22)15-7-3-2-4-8-15/h2-4,7-9,12,16H,5-6,10-11,13-14H2,1H3,(H,19,23)
InChIKeyPVOLPCXGGZUMSN-UHFFFAOYSA-N
XLogP2.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
US10343992, Example 234
CID 122590732
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
3-[2-({[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16189204
(3R)-3-fluoro-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155514780
N-[2-[3-(3-fluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518732
propan-2-yl N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
CID 155518798
(3R)-3-fluoro-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
CID 155523602
N-[2-[3-(2-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155527416

Frequently Asked Questions

What is the IUPAC name of N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide (CID 118524372) is N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide is COCC(Cn1ccc(-c2ccccc2)n1)NC(=O)N1CCCC1.
What is the InChIKey of N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is PVOLPCXGGZUMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-14-16(19-18(23)21-10-5-6-11-21)13-22-12-9-17(20-22)15-7-3-2-4-8-15/h2-4,7-9,12,16H,5-6,10-11,13-14H2,1H3,(H,19,23).
What are the key properties of N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methoxy-3-(3-phenylpyrazol-1-yl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 118524372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).