2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide

C16H25N3O2 — CID 129355562

IUPAC2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1cnn(C[C@H]2CCCCO2)c1
InChIInChI=1S/C16H25N3O2/c20-16(9-13-5-1-2-6-13)18-14-10-17-19(11-14)12-15-7-3-4-8-21-15/h10-11,13,15H,1-9,12H2,(H,18,20)/t15-/m1/s1
InChIKeyKTMPPYGHUPPIMW-OAHLLOKOSA-N
MW291.39 g/mol
LogP2.97
Rot. Bonds5

About 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide

2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide (PubChem CID 129355562) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
PubChem CID129355562
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1cnn(C[C@H]2CCCCO2)c1
InChIInChI=1S/C16H25N3O2/c20-16(9-13-5-1-2-6-13)18-14-10-17-19(11-14)12-15-7-3-4-8-21-15/h10-11,13,15H,1-9,12H2,(H,18,20)/t15-/m1/s1
InChIKeyKTMPPYGHUPPIMW-OAHLLOKOSA-N
XLogP2.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide (CID 129355562) is 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide is O=C(CC1CCCC1)Nc1cnn(C[C@H]2CCCCO2)c1.
What is the InChIKey of 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The InChIKey is KTMPPYGHUPPIMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16(9-13-5-1-2-6-13)18-14-10-17-19(11-14)12-15-7-3-4-8-21-15/h10-11,13,15H,1-9,12H2,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 129355562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).