N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide

C15H19N5O2 — CID 50953672

IUPACN,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)c2cnn3ccn(C)c23)on1
InChIInChI=1S/C15H19N5O2/c1-10(2)13-7-11(22-17-13)9-19(4)15(21)12-8-16-20-6-5-18(3)14(12)20/h5-8,10H,9H2,1-4H3
InChIKeyIYCGMBPVQQTKGB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.06
Rot. Bonds4

About N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide

N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50953672) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50953672
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(C)c1cc(CN(C)C(=O)c2cnn3ccn(C)c23)on1
InChIInChI=1S/C15H19N5O2/c1-10(2)13-7-11(22-17-13)9-19(4)15(21)12-8-16-20-6-5-18(3)14(12)20/h5-8,10H,9H2,1-4H3
InChIKeyIYCGMBPVQQTKGB-UHFFFAOYSA-N
XLogP2.06
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-{6-Bromopyrazolo[1,5-A]pyrimidine-3-carbonyl}pyrrolidin-2-YL)-3-(propan-2-YL)-1,2-oxazole
CID 50809136
[2-(5-Methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 50809145
6-Bromo-3-{[2-(3-ethylisoxazol-5-yl)pyrrolidin-1-yl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 50809172
5-(1-{6-Bromopyrazolo[1,5-A]pyrimidine-3-carbonyl}pyrrolidin-2-YL)-3-methyl-1,2-oxazole
CID 50809692
1-[(3-ethylisoxazol-5-yl)carbonyl]-4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}piperidine
CID 72935352
3-(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-5-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2,4-oxadiazole
CID 99798716
1-Methyl-1-[2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-3-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]urea
CID 172625128
5-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119062364
7-{[2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-yl]carbonyl}-1-methyl-1H-imidazo[1,2-b]pyrazole
CID 50961298
N-[(3-isobutylisoxazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56873423
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-5-cyclopropylisoxazole-3-carboxamide
CID 76148287
6-{4-[(3-Isopropylisoxazol-5-yl)methyl]piperazin-1-yl}imidazo[1,2-b]pyridazine
CID 91842697

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide (CID 50953672) is N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide is CC(C)c1cc(CN(C)C(=O)c2cnn3ccn(C)c23)on1.
What is the InChIKey of N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is IYCGMBPVQQTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(2)13-7-11(22-17-13)9-19(4)15(21)12-8-16-20-6-5-18(3)14(12)20/h5-8,10H,9H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide?
N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50953672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).