N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide

C14H23N3O2 — CID 121145145

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
SMILESCCCCC(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C14H23N3O2/c1-2-3-7-14(18)16-12-9-15-17(10-12)11-13-6-4-5-8-19-13/h9-10,13H,2-8,11H2,1H3,(H,16,18)
InChIKeyUTAIFDHHZGAQNV-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide (PubChem CID 121145145) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
PubChem CID121145145
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
SMILESCCCCC(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C14H23N3O2/c1-2-3-7-14(18)16-12-9-15-17(10-12)11-13-6-4-5-8-19-13/h9-10,13H,2-8,11H2,1H3,(H,16,18)
InChIKeyUTAIFDHHZGAQNV-UHFFFAOYSA-N
XLogP2.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
CID 121145130
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide (CID 121145145) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide is CCCCC(=O)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide?
The InChIKey is UTAIFDHHZGAQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-7-14(18)16-12-9-15-17(10-12)11-13-6-4-5-8-19-13/h9-10,13H,2-8,11H2,1H3,(H,16,18).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide has a molecular weight of 265.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide is sourced from PubChem (CID 121145145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).