N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide

C16H22N6O — CID 119778033

IUPACN-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)c1cc(NC(=O)CC2CCCN2)n(-c2ncccn2)n1
InChIInChI=1S/C16H22N6O/c1-11(2)13-10-14(20-15(23)9-12-5-3-6-17-12)22(21-13)16-18-7-4-8-19-16/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3,(H,20,23)
InChIKeyTZEAETACYKFUNS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.87
Rot. Bonds5

About N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide

N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119778033) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID119778033
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)c1cc(NC(=O)CC2CCCN2)n(-c2ncccn2)n1
InChIInChI=1S/C16H22N6O/c1-11(2)13-10-14(20-15(23)9-12-5-3-6-17-12)22(21-13)16-18-7-4-8-19-16/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3,(H,20,23)
InChIKeyTZEAETACYKFUNS-UHFFFAOYSA-N
XLogP1.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
CID 113433582
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427
3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119778014
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119733243
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
CID 104618156

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide (CID 119778033) is N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide is CC(C)c1cc(NC(=O)CC2CCCN2)n(-c2ncccn2)n1.
What is the InChIKey of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is TZEAETACYKFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11(2)13-10-14(20-15(23)9-12-5-3-6-17-12)22(21-13)16-18-7-4-8-19-16/h4,7-8,10-12,17H,3,5-6,9H2,1-2H3,(H,20,23).
What are the key properties of N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide?
N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119778033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).