5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H15N5O2 — CID 167974040

IUPAC5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)cc(CN(Cc3ccco3)C3CC3)nc12
InChIInChI=1S/C16H15N5O2/c17-7-11-8-18-21-15(22)6-12(19-16(11)21)9-20(13-3-4-13)10-14-2-1-5-23-14/h1-2,5-6,8,13,18H,3-4,9-10H2
InChIKeyOJCFRINLKOBUDP-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.65
Rot. Bonds5

About 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 167974040) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID167974040
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)cc(CN(Cc3ccco3)C3CC3)nc12
InChIInChI=1S/C16H15N5O2/c17-7-11-8-18-21-15(22)6-12(19-16(11)21)9-20(13-3-4-13)10-14-2-1-5-23-14/h1-2,5-6,8,13,18H,3-4,9-10H2
InChIKeyOJCFRINLKOBUDP-UHFFFAOYSA-N
XLogP1.65
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886159
5-[[(1-cyclopentyl-2-hydroxyethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167908806
3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
CID 86774510
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
7-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42919992
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 66390382
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-[2-(azetidin-3-yl)ethyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 116679776
5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90111856

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 167974040) is 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c[nH]n2c(=O)cc(CN(Cc3ccco3)C3CC3)nc12.
What is the InChIKey of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OJCFRINLKOBUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-7-11-8-18-21-15(22)6-12(19-16(11)21)9-20(13-3-4-13)10-14-2-1-5-23-14/h1-2,5-6,8,13,18H,3-4,9-10H2.
What are the key properties of 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 167974040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).