N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide

C15H20ClN5O2 — CID 167818537

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide
SMILESCc1[nH]cnc1CC(=O)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O
InChIInChI=1S/C15H20ClN5O2/c1-9-12(18-8-17-9)4-15(23)20-13-2-10(3-14(13)22)6-21-7-11(16)5-19-21/h5,7-8,10,13-14,22H,2-4,6H2,1H3,(H,17,18)(H,20,23)/t10?,13-,14-/m1/s1
InChIKeyVOHNOBHUSKUBLL-WDEVSDKISA-N
MW337.81 g/mol
LogP1.07
Rot. Bonds5

About N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide (PubChem CID 167818537) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide
PubChem CID167818537
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide
SMILESCc1[nH]cnc1CC(=O)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O
InChIInChI=1S/C15H20ClN5O2/c1-9-12(18-8-17-9)4-15(23)20-13-2-10(3-14(13)22)6-21-7-11(16)5-19-21/h5,7-8,10,13-14,22H,2-4,6H2,1H3,(H,17,18)(H,20,23)/t10?,13-,14-/m1/s1
InChIKeyVOHNOBHUSKUBLL-WDEVSDKISA-N
XLogP1.07
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide (CID 167818537) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide is Cc1[nH]cnc1CC(=O)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide?
The InChIKey is VOHNOBHUSKUBLL-WDEVSDKISA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-9-12(18-8-17-9)4-15(23)20-13-2-10(3-14(13)22)6-21-7-11(16)5-19-21/h5,7-8,10,13-14,22H,2-4,6H2,1H3,(H,17,18)(H,20,23)/t10?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide has a molecular weight of 337.81 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(5-methyl-1H-imidazol-4-yl)acetamide is sourced from PubChem (CID 167818537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).