1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide

C22H30N4O2 — CID 126768124

IUPAC1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CCC(O)C2)cnn1C1CCCC1
InChIInChI=1S/C22H30N4O2/c1-16-21(13-24-26(16)19-8-4-5-9-19)22(28)23-12-17-6-2-3-7-18(17)14-25-11-10-20(27)15-25/h2-3,6-7,13,19-20,27H,4-5,8-12,14-15H2,1H3,(H,23,28)
InChIKeyAICSCRGUOYTSLA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 126768124) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID126768124
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CN2CCC(O)C2)cnn1C1CCCC1
InChIInChI=1S/C22H30N4O2/c1-16-21(13-24-26(16)19-8-4-5-9-19)22(28)23-12-17-6-2-3-7-18(17)14-25-11-10-20(27)15-25/h2-3,6-7,13,19-20,27H,4-5,8-12,14-15H2,1H3,(H,23,28)
InChIKeyAICSCRGUOYTSLA-UHFFFAOYSA-N
XLogP2.80
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75452688
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
N-[(4-aminopyrimidin-5-yl)methyl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide
CID 139001207
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 75476397
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
1-cyclopentyl-N-[(2,3-dihydroxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 166263151
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide (CID 126768124) is 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2CN2CCC(O)C2)cnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is AICSCRGUOYTSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-21(13-24-26(16)19-8-4-5-9-19)22(28)23-12-17-6-2-3-7-18(17)14-25-11-10-20(27)15-25/h2-3,6-7,13,19-20,27H,4-5,8-12,14-15H2,1H3,(H,23,28).
What are the key properties of 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126768124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).