N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C14H16N6O — CID 74250954

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCCc3cnc[nH]3)cc(C)n2n1
InChIInChI=1S/C14H16N6O/c1-9-5-13-18-12(6-10(2)20(13)19-9)14(21)16-4-3-11-7-15-8-17-11/h5-8H,3-4H2,1-2H3,(H,15,17)(H,16,21)
InChIKeyVUPTVFLPSAIJED-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.04
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 74250954) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID74250954
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCCc3cnc[nH]3)cc(C)n2n1
InChIInChI=1S/C14H16N6O/c1-9-5-13-18-12(6-10(2)20(13)19-9)14(21)16-4-3-11-7-15-8-17-11/h5-8H,3-4H2,1-2H3,(H,15,17)(H,16,21)
InChIKeyVUPTVFLPSAIJED-UHFFFAOYSA-N
XLogP1.04
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110853496
5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19590040
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-methylpyridine-4-carboxamide
CID 113379256
2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
4-(2-aminoethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 171099307
2,7-dimethyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74245419
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110857591
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 23404169
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934
N-[2-(1H-imidazol-5-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027842
2-(1H-imidazol-5-yl)ethylurea
CID 10582986

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 74250954) is N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)NCCc3cnc[nH]3)cc(C)n2n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is VUPTVFLPSAIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-5-13-18-12(6-10(2)20(13)19-9)14(21)16-4-3-11-7-15-8-17-11/h5-8H,3-4H2,1-2H3,(H,15,17)(H,16,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 74250954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).