N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide

C22H23ClN4O3 — CID 91888020

IUPACN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC
InChIInChI=1S/C22H23ClN4O3/c1-29-19-8-5-15(11-20(19)30-2)22(28)24-17-9-10-27(13-17)21-12-18(25-26-21)14-3-6-16(23)7-4-14/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeySHWUJVYMMWNRQR-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.76
Rot. Bonds6

About N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide

N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 91888020) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
PubChem CID91888020
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC
InChIInChI=1S/C22H23ClN4O3/c1-29-19-8-5-15(11-20(19)30-2)22(28)24-17-9-10-27(13-17)21-12-18(25-26-21)14-3-6-16(23)7-4-14/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeySHWUJVYMMWNRQR-UHFFFAOYSA-N
XLogP3.76
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
CID 99741021
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzamide
CID 99741527
4-bromo-N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99744827
3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-(dimethylamino)benzamide
CID 99741297
4-acetamido-N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888039
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2,3-dimethoxybenzamide
CID 99741524
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741299
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741271

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide (CID 91888020) is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cc1OC.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is SHWUJVYMMWNRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-29-19-8-5-15(11-20(19)30-2)22(28)24-17-9-10-27(13-17)21-12-18(25-26-21)14-3-6-16(23)7-4-14/h3-8,11-12,17H,9-10,13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide?
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 426.90 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 91888020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).