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

C16H19N5 — CID 144917454

IUPAC7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C1C(C(C)C)=C(C2=CCNCC2)Nc2c(C#N)cnn21
InChIInChI=1S/C16H19N5/c1-10(2)14-11(3)21-16(13(8-17)9-19-21)20-15(14)12-4-6-18-7-5-12/h4,9-10,18,20H,3,5-7H2,1-2H3
InChIKeySSAUPGIOSJBQND-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.48
Rot. Bonds2

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

7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 144917454) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID144917454
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C1C(C(C)C)=C(C2=CCNCC2)Nc2c(C#N)cnn21
InChIInChI=1S/C16H19N5/c1-10(2)14-11(3)21-16(13(8-17)9-19-21)20-15(14)12-4-6-18-7-5-12/h4,9-10,18,20H,3,5-7H2,1-2H3
InChIKeySSAUPGIOSJBQND-UHFFFAOYSA-N
XLogP2.48
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrazole-4-carbonitrile
CID 89160765
5-butan-2-yl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
CID 136607878
7-amino-5-methyl-5-piperidin-3-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 136992645
1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 137200349
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
CID 137200370
4-[3-(Cyclopropylmethylamino)pyrazol-1-yl]-5-methylcyclohexa-1,3-diene-1-carbonitrile
CID 143422632
3-Methyl-7-methylidene-5-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-4-ide
CID 143441110
ethane;5-(ethylamino)-1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]pyrazole-4-carbonitrile
CID 143801577
5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile
CID 143843824
6-Ethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 144700347
5-[1-(2-aminoethyl)pyrazol-4-yl]-7-methylidene-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 144917484
7-Methyl-5-propan-2-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine
CID 148194691

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 144917454) is 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is C=C1C(C(C)C)=C(C2=CCNCC2)Nc2c(C#N)cnn21.
What is the InChIKey of 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SSAUPGIOSJBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-10(2)14-11(3)21-16(13(8-17)9-19-21)20-15(14)12-4-6-18-7-5-12/h4,9-10,18,20H,3,5-7H2,1-2H3.
What are the key properties of 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-6-propan-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 144917454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).