N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

C21H26N4O2 — CID 134127310

IUPACN-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)C1CC(c2ccncc2)NN1
InChIInChI=1S/C21H26N4O2/c26-21(19-13-18(24-25-19)16-9-11-22-12-10-16)23-17-7-4-8-20(17)27-14-15-5-2-1-3-6-15/h1-3,5-6,9-12,17-20,24-25H,4,7-8,13-14H2,(H,23,26)/t17-,18?,19?,20-/m1/s1
InChIKeyQFIVVUDWGBTGNA-YNIZLOQISA-N
MW366.46 g/mol
LogP2.24
Rot. Bonds6

About N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 134127310) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID134127310
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)C1CC(c2ccncc2)NN1
InChIInChI=1S/C21H26N4O2/c26-21(19-13-18(24-25-19)16-9-11-22-12-10-16)23-17-7-4-8-20(17)27-14-15-5-2-1-3-6-15/h1-3,5-6,9-12,17-20,24-25H,4,7-8,13-14H2,(H,23,26)/t17-,18?,19?,20-/m1/s1
InChIKeyQFIVVUDWGBTGNA-YNIZLOQISA-N
XLogP2.24
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 146681894
CID 146681894
CID 155921721
CID 155921721
CID 69383872
CID 69383872
CID 69383876
CID 69383876
CID 52986475
CID 52986475
CID 52986679
CID 52986679
CID 74487941
CID 74487941
CID 74790504
CID 74790504
CID 75444718
CID 75444718
CID 76407835
CID 76407835
CID 77919767
CID 77919767
CID 78082212
CID 78082212

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 134127310) is N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)C1CC(c2ccncc2)NN1.
What is the InChIKey of N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is QFIVVUDWGBTGNA-YNIZLOQISA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(19-13-18(24-25-19)16-9-11-22-12-10-16)23-17-7-4-8-20(17)27-14-15-5-2-1-3-6-15/h1-3,5-6,9-12,17-20,24-25H,4,7-8,13-14H2,(H,23,26)/t17-,18?,19?,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-phenylmethoxycyclopentyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134127310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).