5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide

C18H24N4O2 — CID 71985880

IUPAC5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(OCCN2CCC(C)C2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-7-8-22(12-13)9-10-24-16-5-3-15(4-6-16)20-18(23)17-11-19-21-14(17)2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyRBLSSHNUFCEOMT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.69
Rot. Bonds6

About 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 71985880) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID71985880
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(OCCN2CCC(C)C2)cc1
InChIInChI=1S/C18H24N4O2/c1-13-7-8-22(12-13)9-10-24-16-5-3-15(4-6-16)20-18(23)17-11-19-21-14(17)2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyRBLSSHNUFCEOMT-UHFFFAOYSA-N
XLogP2.69
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide
CID 119897847
N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 167832127
(2S)-N-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 99107051
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
CID 133179595
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827
2-methyl-5-[2-(3-methylpyrrolidin-1-yl)ethoxy]-1H-indole-3-carboxylic acid
CID 22311946
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
CID 125060717
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005
1-ethoxy-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730573
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide (CID 71985880) is 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccc(OCCN2CCC(C)C2)cc1.
What is the InChIKey of 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RBLSSHNUFCEOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-7-8-22(12-13)9-10-24-16-5-3-15(4-6-16)20-18(23)17-11-19-21-14(17)2/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71985880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).