N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide

C13H19ClN4O2 — CID 146113984

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)N1CCC1
InChIInChI=1S/C13H19ClN4O2/c14-10-6-15-18(8-10)7-9-4-11(12(19)5-9)16-13(20)17-2-1-3-17/h6,8-9,11-12,19H,1-5,7H2,(H,16,20)/t9?,11-,12-/m1/s1
InChIKeyKUJKKCYLGZHIAH-JZXPMDSESA-N
MW298.77 g/mol
LogP1.09
Rot. Bonds3

About N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide (PubChem CID 146113984) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide
PubChem CID146113984
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)N1CCC1
InChIInChI=1S/C13H19ClN4O2/c14-10-6-15-18(8-10)7-9-4-11(12(19)5-9)16-13(20)17-2-1-3-17/h6,8-9,11-12,19H,1-5,7H2,(H,16,20)/t9?,11-,12-/m1/s1
InChIKeyKUJKKCYLGZHIAH-JZXPMDSESA-N
XLogP1.09
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide (CID 146113984) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide is O=C(N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O)N1CCC1.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide?
The InChIKey is KUJKKCYLGZHIAH-JZXPMDSESA-N. The full InChI is InChI=1S/C13H19ClN4O2/c14-10-6-15-18(8-10)7-9-4-11(12(19)5-9)16-13(20)17-2-1-3-17/h6,8-9,11-12,19H,1-5,7H2,(H,16,20)/t9?,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]azetidine-1-carboxamide is sourced from PubChem (CID 146113984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).