3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide

C24H26ClN5O3 — CID 121364564

IUPAC3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1nn(Cc2cccc(C(=O)N3CCCC3)c2)cc1C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C24H26ClN5O3/c25-19-7-4-8-20(14-19)33-12-9-27-23(31)21-16-30(28-22(21)26)15-17-5-3-6-18(13-17)24(32)29-10-1-2-11-29/h3-8,13-14,16H,1-2,9-12,15H2,(H2,26,28)(H,27,31)
InChIKeyFDSBGTCPRVRSDQ-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.21
Rot. Bonds8

About 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide

3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 121364564) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID121364564
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESNc1nn(Cc2cccc(C(=O)N3CCCC3)c2)cc1C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C24H26ClN5O3/c25-19-7-4-8-20(14-19)33-12-9-27-23(31)21-16-30(28-22(21)26)15-17-5-3-6-18(13-17)24(32)29-10-1-2-11-29/h3-8,13-14,16H,1-2,9-12,15H2,(H2,26,28)(H,27,31)
InChIKeyFDSBGTCPRVRSDQ-UHFFFAOYSA-N
XLogP3.21
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 121364648
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CID 121364647
[3-[(3-bromophenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323572
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N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
[3-[2-(3-chlorophenyl)ethoxy]phenyl]-piperazin-1-ylmethanone
CID 58347598
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 46413657
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide
CID 121364657

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (CID 121364564) is 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is Nc1nn(Cc2cccc(C(=O)N3CCCC3)c2)cc1C(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is FDSBGTCPRVRSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c25-19-7-4-8-20(14-19)33-12-9-27-23(31)21-16-30(28-22(21)26)15-17-5-3-6-18(13-17)24(32)29-10-1-2-11-29/h3-8,13-14,16H,1-2,9-12,15H2,(H2,26,28)(H,27,31).
What are the key properties of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121364564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).