5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

C24H26FN5O3 — CID 129268491

IUPAC5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)C3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-19-5-3-2-4-18(19)24(32)28-13-14-6-8-15(9-7-14)21-20(23(27)31)22(26)30(29-21)17-11-10-16(25)12-17/h2-9,16-17H,10-13,26H2,1H3,(H2,27,31)(H,28,32)
InChIKeyYWVYHDPMPNMLJK-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.23
Rot. Bonds7

About 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 129268491) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID129268491
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)C3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C24H26FN5O3/c1-33-19-5-3-2-4-18(19)24(32)28-13-14-6-8-15(9-7-14)21-20(23(27)31)22(26)30(29-21)17-11-10-16(25)12-17/h2-9,16-17H,10-13,26H2,1H3,(H2,27,31)(H,28,32)
InChIKeyYWVYHDPMPNMLJK-UHFFFAOYSA-N
XLogP3.23
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 129268491) is 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)C3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is YWVYHDPMPNMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-33-19-5-3-2-4-18(19)24(32)28-13-14-6-8-15(9-7-14)21-20(23(27)31)22(26)30(29-21)17-11-10-16(25)12-17/h2-9,16-17H,10-13,26H2,1H3,(H2,27,31)(H,28,32).
What are the key properties of 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluorocyclopentyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129268491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).