5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H18N6O2 — CID 90454619

IUPAC5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOCCn1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)cn1
InChIInChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,19H,4-5H2,1-3H3
InChIKeyLANVKGIJVVMYJC-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.53
Rot. Bonds5

About 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454619) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454619
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOCCn1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)cn1
InChIInChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,19H,4-5H2,1-3H3
InChIKeyLANVKGIJVVMYJC-UHFFFAOYSA-N
XLogP1.53
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Kdm5-IN-1
CID 118908379
4,7-Dihydro-6-(1-methylethyl)-7-oxo-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90419541
5-(1-methylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454574
5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454577
7-oxo-6-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454664
5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454688
5-[1-(2-cyanoethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454710
5-[1-(2-methylpropyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454779
5-(1-cyclobutylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908372
5-(1-cyclopropylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155533785
2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide
CID 133054008
7-oxo-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 133054009

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454619) is 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COCCn1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)cn1.
What is the InChIKey of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LANVKGIJVVMYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,19H,4-5H2,1-3H3.
What are the key properties of 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).