N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C18H23N5O — CID 129006334

IUPACN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cccnc1
InChIInChI=1S/C18H23N5O/c1-23-9-7-13(17(23)12-4-3-8-19-10-12)11-20-18(24)16-14-5-2-6-15(14)21-22-16/h3-4,8,10,13,17H,2,5-7,9,11H2,1H3,(H,20,24)(H,21,22)/t13-,17-/m0/s1
InChIKeyGTAQDAWMKZFSGJ-GUYCJALGSA-N
MW325.42 g/mol
LogP1.72
Rot. Bonds4

About N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 129006334) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID129006334
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cccnc1
InChIInChI=1S/C18H23N5O/c1-23-9-7-13(17(23)12-4-3-8-19-10-12)11-20-18(24)16-14-5-2-6-15(14)21-22-16/h3-4,8,10,13,17H,2,5-7,9,11H2,1H3,(H,20,24)(H,21,22)/t13-,17-/m0/s1
InChIKeyGTAQDAWMKZFSGJ-GUYCJALGSA-N
XLogP1.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 129329743
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide
CID 128992440
6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128991830
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 129006335
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 128993122
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128989505
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
CID 128992499
3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128968305
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 128998866

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 129006334) is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN1CC[C@@H](CNC(=O)c2n[nH]c3c2CCC3)[C@@H]1c1cccnc1.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is GTAQDAWMKZFSGJ-GUYCJALGSA-N. The full InChI is InChI=1S/C18H23N5O/c1-23-9-7-13(17(23)12-4-3-8-19-10-12)11-20-18(24)16-14-5-2-6-15(14)21-22-16/h3-4,8,10,13,17H,2,5-7,9,11H2,1H3,(H,20,24)(H,21,22)/t13-,17-/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 129006334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).