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

C15H20ClN5O2 — CID 146110129

IUPACN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)N[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)cn1
InChIInChI=1S/C15H20ClN5O2/c1-20-7-11(5-17-20)4-15(23)19-13-2-10(3-14(13)22)8-21-9-12(16)6-18-21/h5-7,9-10,13-14,22H,2-4,8H2,1H3,(H,19,23)/t10?,13-,14-/m1/s1
InChIKeyCPBUBBCZMLXEPK-WDEVSDKISA-N
MW337.81 g/mol
LogP0.77
Rot. Bonds5

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

N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 146110129) 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-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID146110129
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)N[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)cn1
InChIInChI=1S/C15H20ClN5O2/c1-20-7-11(5-17-20)4-15(23)19-13-2-10(3-14(13)22)8-21-9-12(16)6-18-21/h5-7,9-10,13-14,22H,2-4,8H2,1H3,(H,19,23)/t10?,13-,14-/m1/s1
InChIKeyCPBUBBCZMLXEPK-WDEVSDKISA-N
XLogP0.77
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 146110129) is N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)N[C@@H]2CC(Cn3cc(Cl)cn3)C[C@H]2O)cn1.
What is the InChIKey of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is CPBUBBCZMLXEPK-WDEVSDKISA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-20-7-11(5-17-20)4-15(23)19-13-2-10(3-14(13)22)8-21-9-12(16)6-18-21/h5-7,9-10,13-14,22H,2-4,8H2,1H3,(H,19,23)/t10?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 337.81 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 146110129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).