N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide

C11H13N5O — CID 91967761

IUPACN-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C11H13N5O/c1-2-4-10(17)15-9-7-12-11(13-8-9)16-6-3-5-14-16/h3,5-8H,2,4H2,1H3,(H,15,17)
InChIKeyZIZNVZRVXGHJJG-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.40
Rot. Bonds4

About N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide

N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide (PubChem CID 91967761) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
PubChem CID91967761
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
SMILESCCCC(=O)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C11H13N5O/c1-2-4-10(17)15-9-7-12-11(13-8-9)16-6-3-5-14-16/h3,5-8H,2,4H2,1H3,(H,15,17)
InChIKeyZIZNVZRVXGHJJG-UHFFFAOYSA-N
XLogP1.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
CID 122300397
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789781
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300328
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 122300381
2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide?
The IUPAC name of N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide (CID 91967761) is N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide.
What is the SMILES notation for N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide?
The canonical SMILES for N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide is CCCC(=O)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide?
The InChIKey is ZIZNVZRVXGHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-4-10(17)15-9-7-12-11(13-8-9)16-6-3-5-14-16/h3,5-8H,2,4H2,1H3,(H,15,17).
What are the key properties of N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide?
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide has a molecular weight of 231.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide is sourced from PubChem (CID 91967761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).