N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H16N6O2 — CID 166245356

IUPACN-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2c[nH]n3c(=O)ccnc23)[nH]c1C
InChIInChI=1S/C14H16N6O2/c1-7-8(2)18-12(17-7)9(3)19-14(22)10-6-16-20-11(21)4-5-15-13(10)20/h4-6,9,16H,1-3H3,(H,17,18)(H,19,22)
InChIKeyJIWSQIUXHPXBPK-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.85
Rot. Bonds3

About N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166245356) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166245356
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2c[nH]n3c(=O)ccnc23)[nH]c1C
InChIInChI=1S/C14H16N6O2/c1-7-8(2)18-12(17-7)9(3)19-14(22)10-6-16-20-11(21)4-5-15-13(10)20/h4-6,9,16H,1-3H3,(H,17,18)(H,19,22)
InChIKeyJIWSQIUXHPXBPK-UHFFFAOYSA-N
XLogP0.85
TPSA107.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 110485775
6-(2-chlorophenyl)sulfanyl-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]pyridazine-3-carboxamide
CID 166218912
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167905407
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CID 126435307
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CID 55445770
5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
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acetylene;4-[2-(aminomethyl)-3-oxopiperazine-1-carbonyl]-N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-3-methylbenzamide;2-chloroprop-1-ene
CID 142911730
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CID 106688409
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166245356) is N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(C(C)NC(=O)c2c[nH]n3c(=O)ccnc23)[nH]c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIWSQIUXHPXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-7-8(2)18-12(17-7)9(3)19-14(22)10-6-16-20-11(21)4-5-15-13(10)20/h4-6,9,16H,1-3H3,(H,17,18)(H,19,22).
What are the key properties of N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166245356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).