N-(1-tert-butylpyrazol-4-yl)pentanamide

C12H21N3O — CID 86860471

IUPACN-(1-tert-butylpyrazol-4-yl)pentanamide
SMILESCCCCC(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C12H21N3O/c1-5-6-7-11(16)14-10-8-13-15(9-10)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyMYSGRCWOTOUUDU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.77
Rot. Bonds4

About N-(1-tert-butylpyrazol-4-yl)pentanamide

N-(1-tert-butylpyrazol-4-yl)pentanamide (PubChem CID 86860471) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)pentanamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)pentanamide
PubChem CID86860471
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-tert-butylpyrazol-4-yl)pentanamide
SMILESCCCCC(=O)Nc1cnn(C(C)(C)C)c1
InChIInChI=1S/C12H21N3O/c1-5-6-7-11(16)14-10-8-13-15(9-10)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyMYSGRCWOTOUUDU-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-tert-butylpyrazol-4-yl)-3-(4-ethoxyphenyl)propanamide
CID 86860430
N-(1-tert-butylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 138992861
N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 86861979
N-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 86861977
2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
N-(1-tert-butylpyrazol-4-yl)-2-(2-fluoro-4-hydroxy-5-methylphenyl)acetamide
CID 171646076
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798
N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 102554342
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516
N-(1-tert-butylpyrazol-4-yl)-2-methylsulfonylbenzamide
CID 86860481
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)pentanamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)pentanamide (CID 86860471) is N-(1-tert-butylpyrazol-4-yl)pentanamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)pentanamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)pentanamide is CCCCC(=O)Nc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)pentanamide?
The InChIKey is MYSGRCWOTOUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-7-11(16)14-10-8-13-15(9-10)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)pentanamide?
N-(1-tert-butylpyrazol-4-yl)pentanamide has a molecular weight of 223.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)pentanamide is sourced from PubChem (CID 86860471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).